Geometry & MOs

Info

ID:	207757
PubChem CID:	80445700
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	278.185509
ΔH_f, kcal/mol:	-108.69
Dipole, Da:	0.84
IP(EA), eV:	-9.0(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-[3-methyl-2-(propylamino)butyl]pyrazolo[3,4-d]triazin-4-one

Drug info:

PubChemData

Smile

CCNC(CN1CC(=O)N2CCCC2C1=O)C(C)C

DOS

IR

Vibrations