Geometry & MOs

Info

ID:	160764
PubChem CID:	57389715
Reduced:	O2N7C21H21 (1)
Stoich.:	A2B7C21D21 (1)
Weight, g/mol:	403.175673
ΔH_f, kcal/mol:	53.98
Dipole, Da:	7.32
IP(EA), eV:	-8.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-8-(3-piperazin-1-ylphenoxy)pyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC3=CN=C(N=C32)OC4=CC=C(C=C4)N5CCNCC5)C(=N1)C(=O)N

DOS

IR

Vibrations