Geometry & MOs

Info

ID:	168093
PubChem CID:	74923620
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	-102.25
Dipole, Da:	5.26
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-3-[6-ethoxy-3-(3-methoxyphenyl)-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC(=CC=C3)OC)C(=CC(=O)N(C)C)C

DOS

IR

Vibrations