Geometry & MOs

Info

ID:	132467
PubChem CID:	51365539
Reduced:	OSN3C25H25 (1)
Stoich.:	ABC3D25E25 (1)
Weight, g/mol:	468.182923
ΔH_f, kcal/mol:	34.41
Dipole, Da:	3.96
IP(EA), eV:	-8.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations