Geometry & MOs

Info

ID:	47922
PubChem CID:	10535851
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	2.75
IP(EA), eV:	-9.17(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dihydropyrrol-1-yl)octan-1-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCN1CC=C2CC2

DOS

IR

Vibrations