Geometry & MOs

Info

ID:	305154
PubChem CID:	124766588
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	509.175771
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	4.13
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,7R)-4-(3-chloro-2-methylphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione

Drug info:

PubChemData

Smile

C[C@@]1(CC2=C([C@@H]([C@H]1C(=O)OC)C3=CN=CC=C3)C(=O)NN2)O

DOS

IR

Vibrations