Geometry & MOs

Info

ID:	127663
PubChem CID:	51010501
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-147.36
Dipole, Da:	8.52
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4S)-3-[(4-methoxyphenyl)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

DOS

IR

Vibrations