Geometry & MOs

Info

ID:	321559
PubChem CID:	126666612
Reduced:	N3H6C7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	128.32
Dipole, Da:	2.27
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methoxypyridin-2-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=N1)CC2=NC3=C(N2)C=NC4=CC=CC=C43

DOS

IR

Vibrations