Geometry & MOs

Info

ID:	332108
PubChem CID:	127250394
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.04
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations