Geometry & MOs

Info

ID:	322334
PubChem CID:	126669789
Reduced:	ClNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	419.220036
ΔH_f, kcal/mol:	-3.67
Dipole, Da:	0.92
IP(EA), eV:	-9.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)C=N)Cl

DOS

IR

Vibrations