Geometry & MOs

Info

ID:	326327
PubChem CID:	126687336
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	2.81
IP(EA), eV:	-8.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-5-(carboxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(N2C[C@H]3CC(C[C@H]3C2)(C4=CC=CC=C4)O)O

DOS

IR

Vibrations