Geometry & MOs

Info

ID:	342976
PubChem CID:	127266139
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	-223.7
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[[2-(1-methyltriazol-4-yl)ethylamino]methyl]-N-phenylpyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)NS(=O)(=O)CC(C2CC2)OC)O

DOS

IR

Vibrations