Geometry & MOs

Info

ID:	397992
PubChem CID:	135031292
Reduced:	ClN2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	365.035227
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	3.76
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,4R)-4-hydroxy-2-methyl-4-(trichloromethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(=O)N2)(C3C=CC(=O)O3)NC4=CC=CC=C4Cl

DOS

IR

Vibrations