Geometry & MOs

Info

ID:	80981
PubChem CID:	49854208
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-181.29
Dipole, Da:	5.91
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-4-yl-2-oxo-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCC(CCC)NC(=O)C(C1=CC(=C(C=C1)O)OC)O

DOS

IR

Vibrations