Geometry & MOs

Info

ID:	20828
PubChem CID:	585988
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	3.18
IP(EA), eV:	-8.22(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,5-dimethylpyrrol-2-yl)-6-methylheptan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C(C)(C)CCCC(=O)C

DOS

IR

Vibrations