Geometry & MOs

Info

ID:	344248
PubChem CID:	127267424
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	5.1
IP(EA), eV:	-9.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methyltriazol-4-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OCC2CCCN2C(=O)C=C

DOS

IR

Vibrations