Geometry & MOs

Info

ID:	126328
PubChem CID:	50959887
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-42.41
Dipole, Da:	6.28
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2-methoxypyrimidin-5-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@]2(CN1)C(=O)O)CC3=NC4=C(C=CC=C4Cl)C=C3

DOS

IR

Vibrations