Geometry & MOs

Info

ID:	125785
PubChem CID:	50938395
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-152.08
Dipole, Da:	5.8
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations