Geometry & MOs

Info

ID:	202080
PubChem CID:	79626368
Reduced:	ClSN2F3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	-131.54
Dipole, Da:	4.13
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N=C(S2)N)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations