Geometry & MOs

Info

ID:	437520
PubChem CID:	135226507
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	2.26
IP(EA), eV:	-8.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetylpyrrol-1-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=C(C=C1)S)N

DOS

IR

Vibrations