Geometry & MOs

Info

ID:	28882
PubChem CID:	830247
Reduced:	SN2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	96.83
Dipole, Da:	1.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.530567
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C/N(C)C4=CC=CC=C4

DOS

IR

Vibrations