Geometry & MOs

Info

ID:	48083
PubChem CID:	10537054
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-125.68
Dipole, Da:	3.59
IP(EA), eV:	-8.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CCOC(=O)CNC1=CC=C(C=C1)CCO

DOS

IR

Vibrations