Geometry & MOs

Info

ID:	332967
PubChem CID:	127251391
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-44.53
Dipole, Da:	3.52
IP(EA), eV:	-9.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCOC(C2)C3=NC(=CC(=C3)C4=CN(N=C4)C)C

DOS

IR

Vibrations