Geometry & MOs

Info

ID:	383168
PubChem CID:	134974740
Reduced:	ClINOH15C20 (1)
Stoich.:	ABCDE15F20 (1)
Weight, g/mol:	426.191974
ΔH_f, kcal/mol:	47.16
Dipole, Da:	5.1
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2I)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations