Geometry & MOs

Info

ID:	331817
PubChem CID:	127250101
Reduced:	ClN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	425.150619
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	3.87
IP(EA), eV:	-9.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations