Geometry & MOs

Info

ID:	160792
PubChem CID:	57389795
Reduced:	FO2N5H12C17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	459.201888
ΔH_f, kcal/mol:	1.99
Dipole, Da:	3.59
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-acetyl-4-(4-methylpiperazin-1-yl)phenoxy]-1-methylpyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC3=CN=C(N=C32)OC4=CC=CC=C4F)C(=N1)C(=O)N

DOS

IR

Vibrations