Geometry & MOs

Info

ID:	19747
PubChem CID:	571845
Reduced:	N2O2C25H26 (1)
Stoich.:	A2B2C25D26 (1)
Weight, g/mol:	386.199428
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	2.14
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-naphthalen-1-ylethylamino)-2-oxo-1-phenylethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(C3=CC=CC=C3)NC(=O)CCC=C

DOS

IR

Vibrations