Geometry & MOs

Info

ID:	270103
PubChem CID:	103628320
Reduced:	NSC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	303.005154
ΔH_f, kcal/mol:	17.96
Dipole, Da:	1.17
IP(EA), eV:	-8.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-3-fluorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations