Geometry & MOs

Info

ID:	160843
PubChem CID:	57389959
Reduced:	FINSH23C25 (1)
Stoich.:	ABCDE23F25 (1)
Weight, g/mol:	417.191323
ΔH_f, kcal/mol:	90.87
Dipole, Da:	28.88
IP(EA), eV:	-5.37(-3.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC[N+]2=CC(=CC3=CC=CC=C32)SC4=CC=C(C=C4)F.[I-]

DOS

IR

Vibrations