Geometry & MOs

Info

ID:	137510
PubChem CID:	52218122
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	2.38
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)CCC2CCCC2

DOS

IR

Vibrations