Geometry & MOs

Info

ID:	357621
PubChem CID:	127294294
Reduced:	ON2C11H20 (2)
Stoich.:	AB2C11D20 (2)
Weight, g/mol:	396.26376
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	1.37
IP(EA), eV:	-8.65(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2CCCCN2C)NC(=O)CC3CCCCC3

DOS

IR

Vibrations