Geometry & MOs

Info

ID:	129053
PubChem CID:	51068184
Reduced:	ClN4O4C26H33 (1)
Stoich.:	AB4C4D26E33 (1)
Weight, g/mol:	521.127297
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	3.05
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N(CCOC)CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC=CC=C3Cl

DOS

IR

Vibrations