Geometry & MOs

Info

ID:	387409
PubChem CID:	134985282
Reduced:	ClNOC6H12 (1)
Stoich.:	ABCD6E12 (1)
Weight, g/mol:	498.128527
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	2.93
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(C)(N=O)Cl

DOS

IR

Vibrations