Geometry & MOs

Info

ID:	381309
PubChem CID:	134972002
Reduced:	ClNOC8H16 (1)
Stoich.:	ABCD8E16 (1)
Weight, g/mol:	370.199153
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	5.18
IP(EA), eV:	-9.44(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,4R,8R,9R,10R,11R)-10-hydroxy-9-(hydroxymethyl)-2,6,6,10-tetramethyl-5,7,12-trioxatetracyclo[9.2.1.01,8.04,8]tetradecan-9-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C[C@H]([C@@H](C1)[NH3+])O)C.[Cl-]

DOS

IR

Vibrations