Geometry & MOs

Info

ID:	69895
PubChem CID:	47205711
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	3.32
IP(EA), eV:	-9.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-butyl-3-methyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N)C(=O)COC1=CC(=CC=C1)Cl

DOS

IR

Vibrations