Geometry & MOs

Info

ID:	319019
PubChem CID:	126654161
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-52.55
Dipole, Da:	1.31
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(4S)-4-hydroxyoxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)NC3COC[C@@H]3N4CCOCC4

DOS

IR

Vibrations