Geometry & MOs

Info

ID:	192462
PubChem CID:	78271964
Reduced:	N2O2Cl3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	400.045997
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	3.59
IP(EA), eV:	-9.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C=C1C(C(NC(=O)N1)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations