Geometry & MOs

Info

ID:	361130
PubChem CID:	127302046
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	348.146537
ΔH_f, kcal/mol:	10.26
Dipole, Da:	8.06
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)CNC2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations