Geometry & MOs

Info

ID:	407417
PubChem CID:	135080044
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	335.100502
ΔH_f, kcal/mol:	84.2
Dipole, Da:	3.23
IP(EA), eV:	-8.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetyloxycarbonyl-3-ethoxy-3-oxoprop-1-enyl)amino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCCC#C/C(=C\C=N\N(C)C)/C1=CC=CC=C1

DOS

IR

Vibrations