Geometry & MOs

Info

ID:	168108
PubChem CID:	74924296
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-184.98
Dipole, Da:	4.25
IP(EA), eV:	-8.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)N3CCC(CC3)C(=O)O)C)OC)C

DOS

IR

Vibrations