Geometry & MOs

Info

ID:	415114
PubChem CID:	135088100
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	321.096085
ΔH_f, kcal/mol:	35.73
Dipole, Da:	5.74
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(CCN(C)C)CC3=CN=CN3

DOS

IR

Vibrations