Geometry & MOs

Info

ID:	183617
PubChem CID:	77045711
Reduced:	O2N6C9H14 (1)
Stoich.:	A2B6C9D14 (1)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	8.72
IP(EA), eV:	-9.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)C2CNC(=O)N2

DOS

IR

Vibrations