Geometry & MOs

Info

ID:	195053
PubChem CID:	78628016
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	40.36
Dipole, Da:	8.61
IP(EA), eV:	-9.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C#N)OC(=O)C=CC1=CN(N=N1)CC2=CC=CC=C2

DOS

IR

Vibrations