Geometry & MOs

Info

ID:	189225
PubChem CID:	77829088
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	571.278367
ΔH_f, kcal/mol:	20.89
Dipole, Da:	4.54
IP(EA), eV:	-7.46(0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[2-(cyclopropylmethyl)-2-methyl-3-[[3-phenyl-2-(trifluoromethoxy)prop-2-enoyl]amino]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-ium-4a-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1CC(C2=CC=CC(=C)N2C1)CNC

DOS

IR

Vibrations