Geometry & MOs

Info

ID:	62774
PubChem CID:	26736733
Reduced:	OCl3N3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	370.130887
ΔH_f, kcal/mol:	6.21
Dipole, Da:	4.75
IP(EA), eV:	-8.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC(=NC(=C3)Cl)Cl

DOS

IR

Vibrations