Geometry & MOs

Info

ID:	383326
PubChem CID:	134974990
Reduced:	INOC15H24 (1)
Stoich.:	ABCD15E24 (1)
Weight, g/mol:	394.453852
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	5.36
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-9,13-dimethyl-13-propylhenicosane

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@H]([C@@H]2C1)C(=O)[C@@H]3CCCCI

DOS

IR

Vibrations