Geometry & MOs

Info

ID:	276765
PubChem CID:	103825100
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-121.74
Dipole, Da:	2.02
IP(EA), eV:	-9.35(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)NCC(C)(C)CCO)Cl

DOS

IR

Vibrations