Geometry & MOs

Info

ID:	129083
PubChem CID:	51069616
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	4.86
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(C3CC3)C(=O)COC)OC4=CC=CC=C4Cl

DOS

IR

Vibrations