Geometry & MOs

Info

ID:	343819
PubChem CID:	127266995
Reduced:	NSO4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-192.91
Dipole, Da:	4.69
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCNC1=CC=CC=C1CS(=O)(=O)C

DOS

IR

Vibrations