Geometry & MOs

Info

ID:	127662
PubChem CID:	51010500
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	4.7
IP(EA), eV:	-10.63(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@H](C2)[C@H]1C(=O)O)C

DOS

IR

Vibrations