Geometry & MOs

Info

ID:	160563
PubChem CID:	57389049
Reduced:	ClSO2N3C22H34 (1)
Stoich.:	ABC2D3E22F34 (1)
Weight, g/mol:	366.160437
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	5.57
IP(EA), eV:	-8.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=NC=CS3.Cl

DOS

IR

Vibrations