Geometry & MOs

Info

ID:	127856
PubChem CID:	51019412
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	-70.33
Dipole, Da:	3.5
IP(EA), eV:	-8.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,12S)-N,N-dibenzyl-9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)C34CC4)C

DOS

IR

Vibrations