Geometry & MOs

Info

ID:	129086
PubChem CID:	51069705
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	527.161184
ΔH_f, kcal/mol:	-44.68
Dipole, Da:	5.77
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1=C(N(N=C1C2=CC=CC=C2)C)OC3=CC=CC=C3OC)C(=O)C(C)C

DOS

IR

Vibrations