Geometry & MOs

Info

ID:	231270
PubChem CID:	87573302
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	398.278072
ΔH_f, kcal/mol:	65.47
Dipole, Da:	2.22
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,2-dimethylhexanoylamino)methyl]-4-(2-formyl-3-methylbutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)C2C=CN(C3=CC=CC=C23)Cl

DOS

IR

Vibrations