Geometry & MOs

Info

ID:

226621

PubChem CID:

87544443

Reduced:

N2O4C29H38 (2)

Stoich.:

A2B4C29D38 (2)

Weight, g/mol:

459.061343

ΔHf, kcal/mol:

-320.26

Dipole, Da:

4.82

IP(EA), eV:

 -8.24(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxyethyl]-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN[C@H]2CC3(CCC3)OC4=C2C=C(C=C4)C[C@H]5CCCO5)O.CC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN[C@H]2CC3(CCC3)OC4=C2C=C(C=C4)C[C@@H]5CCCO5)O

DOS

IR

Vibrations