Geometry & MOs

Info

ID:	185457
PubChem CID:	77302035
Reduced:	SN3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	47.79
Dipole, Da:	3.91
IP(EA), eV:	-7.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-fluoro-5-methoxy-4-methylphenyl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC3=CN=C(C=C3)C4=CSC=C4C

DOS

IR

Vibrations