Geometry & MOs

Info

ID:	185459
PubChem CID:	77302175
Reduced:	NF4O4C27H31 (1)
Stoich.:	AB4C4D27E31 (1)
Weight, g/mol:	362.106502
ΔH_f, kcal/mol:	-351.39
Dipole, Da:	4.98
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(3,4-dichlorophenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2CCCN2CC(COC(C)C3=C(C=C(C=C3)C(F)(F)F)C=CC(=O)O)O)F

DOS

IR

Vibrations