Geometry & MOs

Info

ID:	416029
PubChem CID:	135089034
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	4.89
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C(=O)N2CCCN(CC2)CC3CCCOC3

DOS

IR

Vibrations