Geometry & MOs

Info

ID:	416949
PubChem CID:	135090894
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	6.49
IP(EA), eV:	-8.98(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)NC3(CCCC3)C(=O)O

DOS

IR

Vibrations