Geometry & MOs

Info

ID:	273169
PubChem CID:	103770620
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	5.26
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(C=CC=C1C)C)O

DOS

IR

Vibrations