Geometry & MOs

Info

ID:	5924
PubChem CID:	14079
Reduced:	NOC6H7 (1)
Stoich.:	ABC6D7 (1)
Weight, g/mol:	109.052764
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	4.98
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CN1

DOS

IR

Vibrations