Geometry & MOs

Info

ID:	26783
PubChem CID:	798327
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	318.125594
ΔH_f, kcal/mol:	20.91
Dipole, Da:	8.43
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylphenyl)phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCC(=O)NCC2=CC=CC=C2)C

DOS

IR

Vibrations