Geometry & MOs

Info

ID:	26332
PubChem CID:	644570
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	415.154349
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	2.98
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3C4(C2=O)OCCO4

DOS

IR

Vibrations