Geometry & MOs

Info

ID:	68942
PubChem CID:	46513110
Reduced:	F2N3O3C25H27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	320.097249
ΔH_f, kcal/mol:	-158.8
Dipole, Da:	3.18
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N(C)C(C)C3=CC(=C(C=C3)F)F)C)CCC(=O)OC

DOS

IR

Vibrations