Geometry & MOs

Info

ID:	51652
PubChem CID:	12014358
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	3.95
IP(EA), eV:	-9.31(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-(4-methylbenzoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]23[C@H]4[C@H]5C[C@@H]([C@H]4C(=O)N2CCCO3)C=C5

DOS

IR

Vibrations