Geometry & MOs

Info

ID:	126508
PubChem CID:	50966783
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	306.184447
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	7.77
IP(EA), eV:	-9.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-benzyl-1H-1,2,4-triazol-3-yl)-N,N-dimethyl-1-(3-methylphenyl)methanamine

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CCNC3CS(=O)(=O)C=C3

DOS

IR

Vibrations