Geometry & MOs

Info

ID:	347151
PubChem CID:	127271692
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-42.6
Dipole, Da:	5.32
IP(EA), eV:	-9.23(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3CCN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations