Geometry & MOs

Info

ID:	430592
PubChem CID:	135170658
Reduced:	BrNO4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-135.22
Dipole, Da:	3.25
IP(EA), eV:	-10.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CN1C(C(=CC1=O)Br)OC(=O)OC

DOS

IR

Vibrations