Geometry & MOs

Info

ID:	447473
PubChem CID:	135283144
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	544.279804
ΔH_f, kcal/mol:	14.03
Dipole, Da:	5.94
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-amino-1-[[4-[[2-(2-methylprop-2-enylamino)ethoxycarbonylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1OCC(C)CC(C)CN)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations