Geometry & MOs

Info

ID:	269362
PubChem CID:	103617168
Reduced:	ClNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	26.84
Dipole, Da:	2.16
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations