Geometry & MOs

Info

ID:	216492
PubChem CID:	85086312
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	2.04
IP(EA), eV:	-9.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-N-(4-oxocycloheptyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1C(OCN1C(=O)C2=CC=CC=C2)(C)CC=C

DOS

IR

Vibrations