Geometry & MOs

Info

ID:	129063
PubChem CID:	51068479
Reduced:	ClN3O3H24C29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	493.200156
ΔH_f, kcal/mol:	28.82
Dipole, Da:	6.38
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl)OC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations