Geometry & MOs

Info

ID:	160591
PubChem CID:	57389147
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	45.74
Dipole, Da:	3.95
IP(EA), eV:	-8.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfanyl-1-piperidin-3-ylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC=C2C=CC3=C(C2=N1)N(N=C3C(=O)N)C4CCNCC4

DOS

IR

Vibrations