Geometry & MOs

Info

ID:	422057
PubChem CID:	135117108
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	1.23
Dipole, Da:	5.11
IP(EA), eV:	-8.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylphenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=NC3=CC=CC=C3N2CCC(C)C

DOS

IR

Vibrations