Geometry & MOs

Info

ID:	216644
PubChem CID:	85086554
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	294.12628
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	3.94
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-anilino-3-methylsulfanyl-2,3,3a,6,7,7a-hexahydro-1H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1COC(=O)C2=CC=CC=C2N3C1CC(=N3)C(=O)OC

DOS

IR

Vibrations