Geometry & MOs

Info

ID:	430460
PubChem CID:	135170524
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	4.23
IP(EA), eV:	-9.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

CCCC(=O)OC1C(=CC(=O)N1C)C

DOS

IR

Vibrations