Geometry & MOs

Info

ID:	191932
PubChem CID:	78204094
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	320.138559
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	2.3
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-pyridin-2-yl-4-pyridin-4-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NNC(=O)CCC2C(=O)NC(=O)NN2

DOS

IR

Vibrations