Geometry & MOs

Info

ID:	430473
PubChem CID:	135170537
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	5.14
IP(EA), eV:	-9.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)C2CC2)C

DOS

IR

Vibrations