Geometry & MOs

Info

ID:	223418
PubChem CID:	85335013
Reduced:	SN2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	339.123736
ΔH_f, kcal/mol:	33.51
Dipole, Da:	7.76
IP(EA), eV:	-7.59(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[(3,5-dimethylphenyl)methoxycarbonyl]bicyclo[3.1.0]hexane-6-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC12CCC(N1C)(CC(C2)SC3=CC=C(C=C3)C4=CN=CC=C4)C

DOS

IR

Vibrations