Geometry & MOs

Info

ID:	217847
PubChem CID:	85088485
Reduced:	NO2C27H35 (1)
Stoich.:	AB2C27D35 (1)
Weight, g/mol:	405.13034
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	0.99
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-bromophenyl)ethyl]-7a-methyl-3-propan-2-yl-6-prop-2-enyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4CC5=CC=CC=N5)C)C

DOS

IR

Vibrations