Geometry & MOs

Info

ID:	163337
PubChem CID:	57770968
Reduced:	ClNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	312.126263
ΔH_f, kcal/mol:	46.65
Dipole, Da:	6.99
IP(EA), eV:	-9.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-phenyl-3-(2-pyridin-3-ylethynyl)benzamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)OC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations