Geometry & MOs

Info

ID:	206797
PubChem CID:	80304033
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	2.58
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-methoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(=O)C2CCCO2

DOS

IR

Vibrations