Geometry & MOs

Info

ID:	126466
PubChem CID:	50965802
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-13.79
Dipole, Da:	6.93
IP(EA), eV:	-8.64(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-[[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CCC1=NC=CN1CC(C)NC2CCN(CC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations