Geometry & MOs

Info

ID:	127910
PubChem CID:	51022760
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-189.28
Dipole, Da:	6.0
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)OC

DOS

IR

Vibrations