Geometry & MOs

Info

ID:	168107
PubChem CID:	74924295
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	9.87
IP(EA), eV:	-8.78(-0.6)
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]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)NCC3=CC=C(C=C3)C(=O)O)C)OC)C

DOS

IR

Vibrations