Geometry & MOs

Info

ID:	30839
PubChem CID:	841992
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	41.25
Dipole, Da:	6.55
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations