Geometry & MOs

Info

ID:	366842
PubChem CID:	127320470
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	5.44
IP(EA), eV:	-8.98(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methylazepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=NN(C(=C2)C)C

DOS

IR

Vibrations