Geometry & MOs

Info

ID:	207759
PubChem CID:	80445702
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	0.78
IP(EA), eV:	-8.95(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylamino)-3-methylpentyl]-7-methylpyrazolo[3,4-d]triazin-4-one

Drug info:

PubChemData

Smile

CCC(C)C(COC1CCCC1)NC

DOS

IR

Vibrations