Geometry & MOs

Info

ID:	133910
PubChem CID:	51612895
Reduced:	ClN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	2.92
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-cyclohexyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations