Geometry & MOs

Info

ID:	129097
PubChem CID:	51069831
Reduced:	ClO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	5.18
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC=CC=C3Cl)C(=O)NCC

DOS

IR

Vibrations