Geometry & MOs

Info

ID:	321536
PubChem CID:	126666542
Reduced:	BrO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	32.28
Dipole, Da:	3.82
IP(EA), eV:	-9.22(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Br)CC5=NOC=C5

DOS

IR

Vibrations