Geometry & MOs

Info

ID:	235391
PubChem CID:	92310325
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-216.05
Dipole, Da:	8.24
IP(EA), eV:	-9.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@H](C[C@@H]3[C@@H]1[C@H](C[C@@]3(C)O)OC(=O)C)C(=C)C(=O)O2

DOS

IR

Vibrations