Geometry & MOs

Info

ID:	269382
PubChem CID:	103617225
Reduced:	ClNSC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	231.084848
ΔH_f, kcal/mol:	29.3
Dipole, Da:	1.7
IP(EA), eV:	-9.11(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NCCC3=CC=C(S3)Cl

DOS

IR

Vibrations