Geometry & MOs

Info

ID:	160738
PubChem CID:	57389622
Reduced:	F3O3N4C19H19 (1)
Stoich.:	A3B3C4D19E19 (1)
Weight, g/mol:	417.191323
ΔH_f, kcal/mol:	-229.19
Dipole, Da:	6.05
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-8-[4-(4-methylpiperazin-1-yl)phenoxy]pyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC(=C21)C(F)(F)F)C(=O)CC3=NC(=O)C=C(N3)N4CCOCC4

DOS

IR

Vibrations