Geometry & MOs

Info

ID:	427701
PubChem CID:	135161467
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	204.164479
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	5.55
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-ethyldecane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(C=C3)O)Cl)C

DOS

IR

Vibrations