Geometry & MOs

Info

ID:	392163
PubChem CID:	135013461
Reduced:	NH7C12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	440.207624
ΔH_f, kcal/mol:	164.72
Dipole, Da:	5.61
IP(EA), eV:	-8.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,7R,9S)-3-(dimethylamino)-7-hydroxy-6-[(4-methoxyphenyl)methyl]-5-azatricyclo[6.3.1.01,5]dodecan-9-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC=C(C=C4)C=C(C#N)C#N

DOS

IR

Vibrations