Geometry & MOs

Info

ID:	217470
PubChem CID:	85087869
Reduced:	OSC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	366.99301
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	2.96
IP(EA), eV:	-8.16(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-iodo-4-methylanilino)-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1)OC(SC2(C)C)C(CSC)(C3=CC=CC=C3)O

DOS

IR

Vibrations