Geometry & MOs

Info

ID:	200640
PubChem CID:	79419887
Reduced:	ClOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	269.044127
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	3.64
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NCC2=CC(=CS2)Cl)C(=O)N

DOS

IR

Vibrations