Geometry & MOs

Info

ID:	380962
PubChem CID:	134971574
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	336.120903
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	2.16
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-ethoxycarbonylbenzoyl)propanedioate

Drug info:

PubChemData

Smile

CC1C(N=C(C2=CC=CC=C2C1C(=O)C(C)(C)C)C(=O)C(C)(C)C)C=C

DOS

IR

Vibrations