Geometry & MOs

Info

ID:	415467
PubChem CID:	135088462
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	6.21
IP(EA), eV:	-8.93(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=O)N4C(=N3)C=C(N4)C

DOS

IR

Vibrations