Geometry & MOs

Info

ID:	415009
PubChem CID:	135087989
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-171.18
Dipole, Da:	4.72
IP(EA), eV:	-9.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=NC=C(C=C3)Cl)O

DOS

IR

Vibrations