Geometry & MOs

Info

ID:	318635
PubChem CID:	126652504
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	422.197235
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	3.04
IP(EA), eV:	-8.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CO[C@H]1CC(N(C1)C2CCNCC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations