Geometry & MOs

Info

ID:	448344
PubChem CID:	135290267
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	3.76
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(E)-4-methoxy-3-oxobut-1-enoxy]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(=CC1)C2=C(C=CC(=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O)OC

DOS

IR

Vibrations