Geometry & MOs

Info

ID:	24269
PubChem CID:	608898
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	4.43
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(1,3-benzodioxol-5-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations