Geometry & MOs

Info

ID:	43726
PubChem CID:	10321701
Reduced:	N2Cl3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	453.15543
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	8.54
IP(EA), eV:	-8.65(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8S)-16,16-diethoxy-6-methoxy-15,15-dimethyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;perchlorate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(C(=C1)C(=O)C(Cl)(Cl)Cl)CC(=O)C2=CC3=CC=CC=C3N2C)C

DOS

IR

Vibrations