Geometry & MOs

Info

ID:	447670
PubChem CID:	135284617
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	419.213969
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	3.31
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-N-(3-fluorocyclopentyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=NC=C2)NC3CCOC3)OCC(C)CC(C)(C)N

DOS

IR

Vibrations