Geometry & MOs

Info

ID:	30682
PubChem CID:	841716
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	2.98
IP(EA), eV:	-9.31(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-(1,3-benzodioxol-5-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O

DOS

IR

Vibrations