Geometry & MOs

Info

ID:	168079
PubChem CID:	74921276
Reduced:	ClNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	465.251523
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	5.39
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dimethoxyphenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]-N,N-dipropylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=COC3=C(C(=C(C=C23)C(=CC(=O)NCC4=CC=C(C=C4)Cl)C)OC)C

DOS

IR

Vibrations