Geometry & MOs

Info

ID:	319838
PubChem CID:	126657382
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	5.04
IP(EA), eV:	-9.69(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-5-octan-2-ylazepan-2-one

Drug info:

PubChemData

Smile

CCCC(CC)C1CCC(=O)NCC1

DOS

IR

Vibrations