Geometry & MOs

Info

ID:	49443
PubChem CID:	11533030
Reduced:	N6O6H20C23 (1)
Stoich.:	A6B6C20D23 (1)
Weight, g/mol:	475.17221
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	11.54
IP(EA), eV:	-9.63(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1,1-bis(2-methoxyphenyl)ethanol;bromide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=C(N=C(C(=C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=NOC(=C4)C)C)C

DOS

IR

Vibrations