Geometry & MOs

Info

ID:

391270

PubChem CID:

135004029

Reduced:

N2O7C29H30 (1)

Stoich.:

A2B7C29D30 (1)

Weight, g/mol:

478.185235

ΔHf, kcal/mol:

-235.5

Dipole, Da:

2.03

IP(EA), eV:

 -9.28(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-ethyl 7-O-methyl 10-butyl-4-(4-nitrophenyl)-2H-pyrimido[1,2-a]benzimidazole-3,7-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2[C@@H]([C@@H](N1CC3=CC=CC=C3)C4=C[C@@H]5[C@H](O4)OC(O5)(C)C)C(=O)N(C2=O)C6=CC=CC=C6

DOS

IR

Vibrations