Geometry & MOs

Info

ID:	46704
PubChem CID:	10526429
Reduced:	ClOPN3C23H25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	426.165168
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	3.99
IP(EA), eV:	-8.66(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2-ethyl-5-methyl-4-nitropyrazole-3-carbonyl)amino]-3-methyl-1-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(P(=O)(N1CCCl)N(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations