Geometry & MOs

Info

ID:	143893
PubChem CID:	53276429
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	422.163043
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	1.31
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-naphthalen-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(=C)N1C2=CC=CC=C2N(C1=O)C3CCCCC3O

DOS

IR

Vibrations