Geometry & MOs

Info

ID:	151738
PubChem CID:	56310362
Reduced:	ClN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	441.168001
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	5.61
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4

DOS

IR

Vibrations