Geometry & MOs

Info

ID:

322611

PubChem CID:

126670648

Reduced:

O2N8C29H36 (1)

Stoich.:

A2B8C29D36 (1)

Weight, g/mol:

503.239336

ΔHf, kcal/mol:

62.45

Dipole, Da:

3.82

IP(EA), eV:

 -8.03(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-hydroxybenzotriazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=C(C(=N2)N3C=CC4=CC=CC=C43)N(C)C)OC

DOS

IR

Vibrations