Geometry & MOs

Info

ID:	124589
PubChem CID:	50888512
Reduced:	N4O6H30C31 (1)
Stoich.:	A4B6C30D31 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	6.57
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3,5-dimethyl-4-[(3-nitrophenyl)diazenyl]pyrazol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OCC(=O)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

DOS

IR

Vibrations