Geometry & MOs

Info

ID:	410231
PubChem CID:	135083022
Reduced:	NO6C12H21 (1)
Stoich.:	AB6C12D21 (1)
Weight, g/mol:	324.049
ΔH_f, kcal/mol:	-257.27
Dipole, Da:	1.98
IP(EA), eV:	-9.91(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)NO)C

DOS

IR

Vibrations