Geometry & MOs

Info

ID:	447476
PubChem CID:	135283165
Reduced:	O5N6C27H28 (1)
Stoich.:	A5B6C27D28 (1)
Weight, g/mol:	458.243024
ΔH_f, kcal/mol:	-109.05
Dipole, Da:	2.91
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCOC(=O)NCC1=CC=C(C=C1)CN2C3=C(C(=NC4=CC=CC=C43)N)N=C2C(=O)OC

DOS

IR

Vibrations