Geometry & MOs

Info

ID:	169850
PubChem CID:	75157082
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	424.118985
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	4.32
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-chlorophenyl)-methylcarbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(C)C(=O)C2=CC(=CC=C2)NC(=O)C3C4CC5C3C(=O)OC5C4

DOS

IR

Vibrations