Geometry & MOs

Info

ID:	132468
PubChem CID:	51366226
Reduced:	ClN6H25C27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	468.182923
ΔH_f, kcal/mol:	143.87
Dipole, Da:	6.67
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]triazolo[1,5-a]quinazoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(N=NN4C5=CC=CC=C53)C6=CC(=CC=C6)Cl)C

DOS

IR

Vibrations