Geometry & MOs

Info

ID:	133909
PubChem CID:	51612894
Reduced:	ClN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	382.10842
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	3.94
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-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