Geometry & MOs

Info

ID:	129089
PubChem CID:	51069823
Reduced:	ClN3O3C30H30 (1)
Stoich.:	AB3C3D30E30 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	7.01
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)CN(CC4CCCO4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations