Geometry & MOs

Info

ID:	441493
PubChem CID:	135235411
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	237.122575
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	3.81
IP(EA), eV:	-8.02(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(3-methoxybutyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNC=CO

DOS

IR

Vibrations