Geometry & MOs

Info

ID:	332093
PubChem CID:	127250379
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-5.52
Dipole, Da:	3.06
IP(EA), eV:	-8.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)OC)C)C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=CN=C5

DOS

IR

Vibrations