Geometry & MOs

Info

ID:	127855
PubChem CID:	51019411
Reduced:	NC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	69.32
Dipole, Da:	3.26
IP(EA), eV:	-10.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[(3,4-dimethylphenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)CC23N=N3

DOS

IR

Vibrations