Geometry & MOs

Info

ID:	327584
PubChem CID:	126690414
Reduced:	OSN6C32H40 (1)
Stoich.:	ABC6D32E40 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	36.02
Dipole, Da:	5.33
IP(EA), eV:	-7.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(Z)-3-chloro-3-(dimethylamino)-2-methyl-1-(methylideneamino)prop-1-enyl]-N-(6-methoxy-1-benzofuran-4-yl)hept-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3SCC4(C)CCC5=C(C=CC(=C5)NC(=O)C6CC6)C

DOS

IR

Vibrations