Geometry & MOs

Info

ID:	25902
PubChem CID:	633047
Reduced:	N2H22C27 (1)
Stoich.:	A2B22C27 (1)
Weight, g/mol:	373.90885
ΔH_f, kcal/mol:	139.31
Dipole, Da:	1.02
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=CC4=CC=CC=C4

DOS

IR

Vibrations