Geometry & MOs

Info

ID:	366846
PubChem CID:	127320534
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	3.81
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2

DOS

IR

Vibrations