Geometry & MOs

Info

ID:	228582
PubChem CID:	87565348
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	257.093104
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	1.71
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloropyrimidin-2-yl)-2-morpholin-2-ylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CC1CNCCO1)(C2=NC=CC(=N2)Cl)O

DOS

IR

Vibrations