Geometry & MOs

Info

ID:	448465
PubChem CID:	135291132
Reduced:	NCl2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	284.162374
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	2.02
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,8S,10S,12R,13S)-10-methoxy-1,5-dimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

CC1CN(CC1(C)C2=CC(=C(C=C2)Cl)Cl)C(C)C

DOS

IR

Vibrations