Geometry & MOs

Info

ID:	140901
PubChem CID:	52781234
Reduced:	ClO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	5.58
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)NC[C@H](C4=CC=C(C=C4)Cl)N5CCOCC5

DOS

IR

Vibrations