Geometry & MOs

Info

ID:	160763
PubChem CID:	57389711
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	403.175673
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	3.91
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-8-(4-piperazin-1-ylphenoxy)pyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=C3CCN(C3=CC=C2)C(=O)CC4=NC(=O)C=C(N4)N5CCOCC5

DOS

IR

Vibrations