Geometry & MOs

Info

ID:	183621
PubChem CID:	77045806
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	58.0
Dipole, Da:	5.97
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-pyridin-3-yl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C2CNNC2C3=CC=CC=C3

DOS

IR

Vibrations