Geometry & MOs

Info

ID:	366854
PubChem CID:	127320542
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	1.29
IP(EA), eV:	-8.78(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C(C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations