Geometry & MOs

Info

ID:	383732
PubChem CID:	134975618
Reduced:	O3C5H9 (2)
Stoich.:	A3B5C9 (2)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-276.69
Dipole, Da:	4.95
IP(EA), eV:	-10.34(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-N-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1C(=O)O[C@]([C@@](O1)(C)OC)(C)OC)O

DOS

IR

Vibrations