Geometry & MOs

Info

ID:	425948
PubChem CID:	135133290
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	333.133808
ΔH_f, kcal/mol:	54.28
Dipole, Da:	10.16
IP(EA), eV:	-8.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-ethyl-4-[4-(1,2,4-triazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=C3C=CC(=O)C=C3)NN2)C(=O)NCCC4=CC=CC=N4

DOS

IR

Vibrations