Geometry & MOs

Info

ID:	317615
PubChem CID:	126644341
Reduced:	BrN2F3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	5.18
IP(EA), eV:	-10.81(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CN=C(N=C1)C(F)(F)F)Br

DOS

IR

Vibrations