Geometry & MOs

Info

ID:	269363
PubChem CID:	103617175
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	306.059362
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	2.39
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations