Geometry & MOs

Info

ID:	81634
PubChem CID:	49854947
Reduced:	BrON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	62.04
Dipole, Da:	5.09
IP(EA), eV:	-8.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-[(E)-[3-[(E)-3-(ethylamino)-3-oxoprop-1-enyl]phenyl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC3=C(C=C2)NC=C3Br

DOS

IR

Vibrations