Geometry & MOs

Info

ID:	168085
PubChem CID:	74922257
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	457.121149
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	3.05
IP(EA), eV:	-8.53(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-(3-ethoxy-4-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C(OC2=C1C)C)C)C(=CC(=O)N3CCN(CC3)CC4=CC=NC=C4)C

DOS

IR

Vibrations