Geometry & MOs

Info

ID:	432063
PubChem CID:	135172195
Reduced:	N3O6C23H35 (1)
Stoich.:	A3B6C23D35 (1)
Weight, g/mol:	405.262757
ΔH_f, kcal/mol:	-188.08
Dipole, Da:	7.36
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-amino-4-(4-methoxy-4-oxobutan-2-yl)-N-(2-methylpropyl)anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)COC)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations