Geometry & MOs

Info

ID:	209118
PubChem CID:	80626920
Reduced:	NSC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	343.06055
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	2.01
IP(EA), eV:	-8.34(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(thian-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1CC(CC(C1)C(C2CCCCS2)NC)C

DOS

IR

Vibrations