Geometry & MOs

Info

ID:	319015
PubChem CID:	126654153
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	2.97
IP(EA), eV:	-8.74(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)NC3CCC[C@H]3O

DOS

IR

Vibrations