Geometry & MOs

Info

ID:	129072
PubChem CID:	51068818
Reduced:	Cl2N3O3H27C29 (1)
Stoich.:	A2B3C3D27E29 (1)
Weight, g/mol:	511.190734
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	4.7
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2CCCO2)C(=O)C3=CC=CC=C3Cl)OC4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations