Geometry & MOs

Info

ID:	346152
PubChem CID:	127270640
Reduced:	ON6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	-6.15
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations