Geometry & MOs

Info

ID:	350590
PubChem CID:	127278625
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-153.79
Dipole, Da:	5.7
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3CCCO3

DOS

IR

Vibrations