Geometry & MOs

Info

ID:	357586
PubChem CID:	127294259
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	380.235831
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	2.59
IP(EA), eV:	-8.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations