Geometry & MOs

Info

ID:	269374
PubChem CID:	103617211
Reduced:	ClNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	358.97463
ΔH_f, kcal/mol:	4.59
Dipole, Da:	2.88
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations