Geometry & MOs

Info

ID:	127539
PubChem CID:	51005632
Reduced:	ClNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	4.95
IP(EA), eV:	-10.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CCC[C@H]([C@H]1Cl)C(=C2)C(=O)N

DOS

IR

Vibrations