Geometry & MOs

Info

ID:	168061
PubChem CID:	74919046
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-74.3
Dipole, Da:	3.34
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-enoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C=C(C)C2=C(C(=C3C(=C2)C(=CO3)C)C)OC

DOS

IR

Vibrations