Geometry & MOs

Info

ID:	401884
PubChem CID:	135053202
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-83.15
Dipole, Da:	3.01
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-nitrobenzoyl)heptane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations