Geometry & MOs

Info

ID:	418623
PubChem CID:	135106351
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-159.01
Dipole, Da:	4.97
IP(EA), eV:	-9.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N,2,4-trimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(O1)C(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations