Geometry & MOs

Info

ID:	419703
PubChem CID:	135108723
Reduced:	NC4H5 (5)
Stoich.:	AB4C5 (5)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	56.9
Dipole, Da:	3.92
IP(EA), eV:	-7.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CCC(CC3)C4=NNC(=N4)C)C)C

DOS

IR

Vibrations