Geometry & MOs

Info

ID:	81529
PubChem CID:	49854831
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	367.168462
ΔH_f, kcal/mol:	60.41
Dipole, Da:	7.03
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-[(E)-[3-(2-phenylethynyl)phenyl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC(=C2)C=C

DOS

IR

Vibrations