Geometry & MOs

Info

ID:	212940
PubChem CID:	81062363
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	0.97
IP(EA), eV:	-8.76(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyethyl)-3-(3-hydroxyprop-1-ynyl)-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1CCC(C1O)(C)C

DOS

IR

Vibrations