Geometry & MOs

Info

ID:	185005
PubChem CID:	77239300
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	5.06
IP(EA), eV:	-9.17(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(aminomethyl)-1-methyl-6-bicyclo[3.2.0]hept-3-enyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCC1C=CC2C1CC2(CN)C(C(=O)O)C(C)(C)C

DOS

IR

Vibrations