Geometry & MOs

Info

ID:	414511
PubChem CID:	135087470
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	335.136887
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	4.92
IP(EA), eV:	-8.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[3-(4-methoxyphenoxy)propyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations