Geometry & MOs

Info

ID:	209728
PubChem CID:	80709360
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-164.96
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-hydroxyethyl)-2-(thian-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=C(C=C(C=C1)OC)O

DOS

IR

Vibrations