Geometry & MOs

Info

ID:	401237
PubChem CID:	135050672
Reduced:	ClOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	474.309372
ΔH_f, kcal/mol:	-38.32
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzimidazol-2-yl]oxy-2,5,9-trimethyldeca-1,8-dien-4-ol

Drug info:

PubChemData

Smile

C[C@@]1(CCCC2=C1CCC3=CC=CC=C32)C(=O)Cl

DOS

IR

Vibrations