Geometry & MOs

Info

ID:	431340
PubChem CID:	135171415
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	252.102254
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	2.67
IP(EA), eV:	-8.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(3-fluoropyridin-2-yl)pyrazol-4-yl]-ethoxymethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)OC)C2=C(C(=CC=C2)N)OC

DOS

IR

Vibrations