Geometry & MOs

Info

ID:	332163
PubChem CID:	127250449
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	3.01
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations