Geometry & MOs

Info

ID:	269383
PubChem CID:	103617230
Reduced:	ClNSC11H18 (1)
Stoich.:	ABCD11E18 (1)
Weight, g/mol:	217.069198
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	1.88
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNCCC1=CC=C(S1)Cl

DOS

IR

Vibrations