Geometry & MOs

Info

ID:	81779
PubChem CID:	49855144
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	77.75
Dipole, Da:	7.32
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)/C=N/OCC3=CC=CC=C3

DOS

IR

Vibrations