Geometry & MOs

Info

ID:	364265
PubChem CID:	127315314
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	7.89
IP(EA), eV:	-9.57(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)C(C)(C)S(=O)(=O)C

DOS

IR

Vibrations