Geometry & MOs

Info

ID:	70208
PubChem CID:	47211685
Reduced:	ClON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	4.29
Dipole, Da:	3.29
IP(EA), eV:	-9.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=C2CN(CCC2=N1)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations