Geometry & MOs

Info

ID:	420565
PubChem CID:	135113956
Reduced:	O5N7C32H45 (1)
Stoich.:	A5B7C32D45 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	2.74
IP(EA), eV:	-9.41(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)C(=O)N2C[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@@H](NC(=O)C2)C)C(C)C)CC4=CC=CC=C4)C

DOS

IR

Vibrations