Geometry & MOs

Info

ID:	421893
PubChem CID:	135116785
Reduced:	O5N7C29H39 (1)
Stoich.:	A5B7C29D39 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	9.52
IP(EA), eV:	-8.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(NN=C1CCC(=O)N2CCOC3=C(C=CC(=C3)C4=NC=CN4CCNC(=O)[C@H](NC(=O)C2)C(C)C)OC)C

DOS

IR

Vibrations