Geometry & MOs

Info

ID:	178665
PubChem CID:	76364668
Reduced:	FO3N6C21H29 (1)
Stoich.:	AB3C6D21E29 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	5.43
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-N-[5-(2-methoxyphenyl)pyrazolidin-3-yl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)CCCC2=NC(=NO2)C3=CC(=C(C=C3)C)F)N

DOS

IR

Vibrations