Geometry & MOs

Info

ID:	228404
PubChem CID:	87564234
Reduced:	SiO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	334.083268
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	5.41
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[6-chloro-2-(4-nitrophenyl)pyrimidin-4-yl]-3-methylmorpholine

Drug info:

PubChemData

Smile

C[Si](C)(C)CCOCN1C2=CC(=CC(=C2C=N1)CCC3=CC=NC=C3)C=O

DOS

IR

Vibrations