Geometry & MOs

Info

ID:	192546
PubChem CID:	78284661
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	8.54
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylanilino)-2-oxoethyl] hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC=CC=CC(=O)OCC(=O)NC1=NOC(=C1)C

DOS

IR

Vibrations