Geometry & MOs

Info

ID:	207258
PubChem CID:	80367599
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	242.123069
ΔH_f, kcal/mol:	-162.53
Dipole, Da:	6.24
IP(EA), eV:	-9.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-(3,4-difluorophenyl)-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=C(C=C(C=C1)C(=O)O)Br)COC

DOS

IR

Vibrations