Geometry & MOs

Info

ID:	69388
PubChem CID:	46530917
Reduced:	OCl2F2N2H16C17 (1)
Stoich.:	AB2C2D2E16F17 (1)
Weight, g/mol:	361.143784
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	2.72
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC(=C(C=C1Cl)Cl)F)C2=CC(=CC=C2)F

DOS

IR

Vibrations