Geometry & MOs

Info

ID:	190912
PubChem CID:	78075013
Reduced:	ClFN2O4C25H26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	424.16399
ΔH_f, kcal/mol:	-192.51
Dipole, Da:	3.1
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(3-bromophenyl)phenyl]methyl-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CC(=O)NC(COC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations