Geometry & MOs

Info

ID:	263900
PubChem CID:	103406212
Reduced:	BrClNOSC11H15 (1)
Stoich.:	ABCDEF11G15 (1)
Weight, g/mol:	313.163099
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	4.65
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)NC(C)(C)CCBr

DOS

IR

Vibrations