Geometry & MOs

Info

ID:	160793
PubChem CID:	57389797
Reduced:	O3N7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	445.186238
ΔH_f, kcal/mol:	9.16
Dipole, Da:	4.26
IP(EA), eV:	-8.69(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-acetyl-4-piperazin-1-ylphenoxy)-1-methylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)N2CCN(CC2)C)OC3=NC=C4C=CC5=C(C4=N3)N(N=C5C(=O)N)C

DOS

IR

Vibrations