Geometry & MOs

Info

ID:	338663
PubChem CID:	127259674
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	4.24
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-[5-(dimethylamino)furan-2-yl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C(=C/C1=CC=C(C=C1)C#N)/NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations