Geometry & MOs

Info

ID:	273402
PubChem CID:	103771039
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	2.62
IP(EA), eV:	-9.62(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C(C)C(C)C)O

DOS

IR

Vibrations