Geometry & MOs

Info

ID:	154729
PubChem CID:	56314244
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	376.07864
ΔH_f, kcal/mol:	-74.4
Dipole, Da:	4.65
IP(EA), eV:	-8.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC(C2=CC=CC=C2OC)N3CCCCC3

DOS

IR

Vibrations