Geometry & MOs

Info

ID:	199398
PubChem CID:	79241251
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	246.122909
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	4.26
IP(EA), eV:	-8.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-N-(2-methylpyridin-4-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC3=NC(=CC=C3)Cl)C

DOS

IR

Vibrations