Geometry & MOs

Info

ID:	423307
PubChem CID:	135119276
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	3.76
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@H]1O)C(=O)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

DOS

IR

Vibrations