Geometry & MOs

Info

ID:	269376
PubChem CID:	103617213
Reduced:	BrClNSO2C14H15 (1)
Stoich.:	ABCDE2F14G15 (1)
Weight, g/mol:	265.069198
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	4.62
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCC2=CC=C(S2)Cl)Br)O

DOS

IR

Vibrations