Geometry & MOs

Info

ID:	332018
PubChem CID:	127250304
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	380.140389
ΔH_f, kcal/mol:	37.47
Dipole, Da:	7.13
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)pyridin-2-yl]-4-(2,6-dimethylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations