Geometry & MOs

Info

ID:	271429
PubChem CID:	103677139
Reduced:	NCl2F2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	4.96
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dichlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)Cl)Cl)NCC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations