Geometry & MOs

Info

ID:	327926
PubChem CID:	126691397
Reduced:	OSN7H21C23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	371.185844
ΔH_f, kcal/mol:	116.8
Dipole, Da:	5.02
IP(EA), eV:	-9.29(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-1-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=CN6C(=N5)SC(=N6)C

DOS

IR

Vibrations