Geometry & MOs

Info

ID:	263844
PubChem CID:	103401190
Reduced:	ClNSC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	362.95178
ΔH_f, kcal/mol:	44.68
Dipole, Da:	0.99
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)C(C3=C(C(=CS3)C)Cl)NC

DOS

IR

Vibrations