Geometry & MOs

Info

ID:	47967
PubChem CID:	10536072
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	201.090212
ΔH_f, kcal/mol:	51.67
Dipole, Da:	3.32
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyltriazol-4-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

CC1C=CC2C(=O)C3=CC=CC=C3N2O1

DOS

IR

Vibrations