Geometry & MOs

Info

ID:	321642
PubChem CID:	126666717
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	28.34
Dipole, Da:	1.4
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R)-1-methylpyrrolidin-3-yl]amino]-3-nitroquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)OC)CN5C=C(N=N5)C

DOS

IR

Vibrations