Geometry & MOs

Info

ID:	16306
PubChem CID:	463917
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	45.13
Dipole, Da:	5.19
IP(EA), eV:	-7.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(E)-4-[4-(dimethylamino)phenyl]but-3-enylideneamino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations