Geometry & MOs

Info

ID:	168063
PubChem CID:	74919048
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	5.26
IP(EA), eV:	-8.34(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C=C(C)C2=C(C(=C3C(=C2)C(=CO3)C)C)OC

DOS

IR

Vibrations