Geometry & MOs

Info

ID:	447470
PubChem CID:	135283114
Reduced:	ON2C9H10 (3)
Stoich.:	AB2C9D10 (3)
Weight, g/mol:	498.237939
ΔH_f, kcal/mol:	-45.79
Dipole, Da:	4.36
IP(EA), eV:	-8.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enoylamino)ethyl N-[[4-[(4-amino-2-cyclopropylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)CNC(=O)OCCNC(=O)C(=C)C)C4=CC=CC=C4N=C2N

DOS

IR

Vibrations