Geometry & MOs

Info

ID:	153393
PubChem CID:	56312581
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	366.090183
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	2.59
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations