Geometry & MOs

Info

ID:	28891
PubChem CID:	830374
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	325.063634
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	3.78
IP(EA), eV:	-8.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-N-(2,3-dichlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@]23CC[C@H](C2)C(C3=O)(C)C)C

DOS

IR

Vibrations