Geometry & MOs

Info

ID:	279425
PubChem CID:	103843894
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-134.51
Dipole, Da:	5.75
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CCOC1=CC=CC=C1)CO

DOS

IR

Vibrations