Geometry & MOs

Info

ID:	438031
PubChem CID:	135227544
Reduced:	NH15C23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	216.3
Dipole, Da:	3.38
IP(EA), eV:	-7.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1-aminoethylidene)-4,4-dimethyl-3-oxo-N-phenylpentanamide

Drug info:

PubChemData

Smile

CN(C1=CC#CC=C1)C2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4

DOS

IR

Vibrations