Geometry & MOs

Info

ID:	425999
PubChem CID:	135134629
Reduced:	NOF2C23H41 (1)
Stoich.:	ABC2D23E41 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-232.4
Dipole, Da:	2.78
IP(EA), eV:	-9.01(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-propan-2-ylazepan-2-one

Drug info:

PubChemData

Smile

CC(CCC(C)C1CCCC(C1)N2CCC(CC2)(F)F)C3CCC(CC3)O

DOS

IR

Vibrations