Geometry & MOs

Info

ID:	160722
PubChem CID:	57389557
Reduced:	OSN6C15H18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	356.14193
ΔH_f, kcal/mol:	53.12
Dipole, Da:	4.02
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C2C=CC3=CN=C(N=C3C2=N1)SC)C(=O)N

DOS

IR

Vibrations