Geometry & MOs

Info

ID:	139323
PubChem CID:	52510078
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	329.097583
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	5.22
IP(EA), eV:	-8.17(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-5-nitroquinolin-6-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations