Geometry & MOs

Info

ID:	389495
PubChem CID:	134993302
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	1.46
IP(EA), eV:	-9.62(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-heptyl-1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C/CC(=O)OCC

DOS

IR

Vibrations