Geometry & MOs

Info

ID:	160844
PubChem CID:	57389965
Reduced:	O2N7C22H23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	459.238273
ΔH_f, kcal/mol:	44.59
Dipole, Da:	6.08
IP(EA), eV:	-8.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CC=C2)OC3=NC=C4C=CC5=C(C4=N3)N(N=C5C(=O)N)C

DOS

IR

Vibrations