Geometry & MOs

Info

ID:	81531
PubChem CID:	49854833
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	78.34
Dipole, Da:	4.44
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-[(E)-[3-(hydroxymethyl)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/C3=CC=CC=C3

DOS

IR

Vibrations