Geometry & MOs

Info

ID:	419437
PubChem CID:	135108183
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	5.7
IP(EA), eV:	-9.08(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CC3=C(NC(=NC3=O)C)C

DOS

IR

Vibrations