Geometry & MOs

Info

ID:	269358
PubChem CID:	103617145
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	388.98519
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	3.04
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations