Geometry & MOs

Info

ID:	360617
PubChem CID:	127301262
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	6.29
IP(EA), eV:	-8.76(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations