Geometry & MOs

Info

ID:	392815
PubChem CID:	135018041
Reduced:	ClON5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	327.125929
ΔH_f, kcal/mol:	100.63
Dipole, Da:	6.66
IP(EA), eV:	-9.2(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-2-(2-phenylethynyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC(=N3)C#N)Cl

DOS

IR

Vibrations