Geometry & MOs

Info

ID:	176606
PubChem CID:	76072441
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	468.091056
ΔH_f, kcal/mol:	-13.88
Dipole, Da:	5.54
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C=CCN1CC(OC1=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations