Geometry & MOs

Info

ID:	25724
PubChem CID:	629751
Reduced:	ClNPO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	444.183778
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	5.07
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-oxo-N,6,6-triphenyl-2-azatricyclo[5.2.2.01,5]undeca-4,8,10-triene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NP(=O)(C)OC2=CC=CC=C2OC

DOS

IR

Vibrations