Geometry & MOs

Info

ID:	319022
PubChem CID:	126654177
Reduced:	FO2N3H8C11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	3.83
IP(EA), eV:	-9.57(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C2=CC(=C(N=C2)N)C(=O)O)F

DOS

IR

Vibrations