Geometry & MOs

Info

ID:	144213
PubChem CID:	53333180
Reduced:	ON6H26C27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	424.181173
ΔH_f, kcal/mol:	122.16
Dipole, Da:	4.34
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenyltriazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C3=NC4=C(N=NN4C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations