Geometry & MOs

Info

ID:	160721
PubChem CID:	57389553
Reduced:	OSN6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	330.12628
ΔH_f, kcal/mol:	17.98
Dipole, Da:	1.9
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethyl]-8-methylsulfanylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=CC3=CN=C(N=C32)SC)C(=N1)C(=O)NC4CCN(CC4)C

DOS

IR

Vibrations