Geometry & MOs

Info

ID:	269366
PubChem CID:	103617195
Reduced:	ClNSO2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	311.074678
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	4.29
IP(EA), eV:	-8.4(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations