Geometry & MOs

Info

ID:	127468
PubChem CID:	51003070
Reduced:	N3O6C15H19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-128.07
Dipole, Da:	8.5
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethyl-3-oxopent-4-en-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C2C=C(OC=C2OC1=O)COCCOCCOCCN=[N+]=[N-]

DOS

IR

Vibrations