Geometry & MOs

Info

ID:	317594
PubChem CID:	126644241
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	37.79
Dipole, Da:	3.93
IP(EA), eV:	-8.81(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[(2,3-dimethylphenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCN2C=C(N=C2)C3=CC=CC=N3)F

DOS

IR

Vibrations