Geometry & MOs

Info

ID:	401132
PubChem CID:	135050261
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	451.19473
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	2.19
IP(EA), eV:	-10.07(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-iodo-2-(1-methoxyethoxy)heptadecanenitrile

Drug info:

PubChemData

Smile

CCC/C=C/C(C)OC(=O)C

DOS

IR

Vibrations