Geometry & MOs

Info

ID:	85399
PubChem CID:	49874748
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	503.197569
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	3.46
IP(EA), eV:	-8.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-benzhydrylazetidin-1-ium-3-yl)oxy-2-methoxypropoxy]-1H-indole-2-carbonitrile;chloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC1CN2C3=CC=CC=C3OC

DOS

IR

Vibrations