Geometry & MOs

Info

ID:	416649
PubChem CID:	135089956
Reduced:	N5O6C29H35 (1)
Stoich.:	A5B6C29D35 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	9.04
IP(EA), eV:	-8.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)CCCN5C=NC=N5)OC

DOS

IR

Vibrations