Geometry & MOs

Info

ID:	400955
PubChem CID:	135049570
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	400.116376
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	3.29
IP(EA), eV:	-9.22(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=CCCC(=O)C1CCCCC1)C

DOS

IR

Vibrations