Geometry & MOs

Info

ID:	127345
PubChem CID:	50999087
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	4.09
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(Z)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2)C(=O)N

DOS

IR

Vibrations