Geometry & MOs

Info

ID:	327662
PubChem CID:	126690668
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	345.172879
ΔH_f, kcal/mol:	-86.19
Dipole, Da:	5.67
IP(EA), eV:	-9.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethylaminomethyl)phenyl] 4-(4-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC=O)CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations