Geometry & MOs

Info

ID:	271709
PubChem CID:	103689391
Reduced:	ClNOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	183.108171
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	2.86
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylthiophen-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)CCl)OC

DOS

IR

Vibrations