Geometry & MOs

Info

ID:	246192
PubChem CID:	103048393
Reduced:	ClNF2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	297.075427
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	1.05
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=C(C=CC(=C1)Cl)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations