Geometry & MOs

Info

ID:	321954
PubChem CID:	126667500
Reduced:	O2N7C23H25 (1)
Stoich.:	A2B7C23D25 (1)
Weight, g/mol:	476.228437
ΔH_f, kcal/mol:	81.31
Dipole, Da:	2.32
IP(EA), eV:	-8.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2N)NC3=NC=CC(=N3)C4=NOC5=CC=CC=C54)OC

DOS

IR

Vibrations