Geometry & MOs

Info

ID:	238830
PubChem CID:	93165572
Reduced:	ClON2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	5.2
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Cl)[C@H](CN)N2CCC[C@@H](C2)C

DOS

IR

Vibrations