Geometry & MOs

Info

ID:	160589
PubChem CID:	57389141
Reduced:	NSO5C24H29 (1)
Stoich.:	ABC5D24E29 (1)
Weight, g/mol:	288.07933
ΔH_f, kcal/mol:	-195.68
Dipole, Da:	8.62
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-methyl-8-methylsulfanylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)C2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations