Geometry & MOs

Info

ID:	160535
PubChem CID:	57388962
Reduced:	FOSN3C19H26 (1)
Stoich.:	ABCD3E19F26 (1)
Weight, g/mol:	318.12628
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	3.7
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCCCOC2=CC=C(C=C2)F)C3=NC=CS3

DOS

IR

Vibrations