Geometry & MOs

Info

ID:	59168
PubChem CID:	24775674
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	1.67
IP(EA), eV:	-9.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,7S,9R)-7,9-bis(4-methoxyphenyl)-8-azatricyclo[6.3.1.04,12]dodecane

Drug info:

PubChemData

Smile

C1CC2(C1)[C@@H]3[C@@H]([C@H](CO3)C4=CC=CC=C4)C(O2)O

DOS

IR

Vibrations