Geometry & MOs

Info

ID:	404132
PubChem CID:	135065106
Reduced:	N2O2H18C23 (1)
Stoich.:	A2B2C18D23 (1)
Weight, g/mol:	389.083413
ΔH_f, kcal/mol:	46.28
Dipole, Da:	2.41
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)-[4-(5-nitrothiophen-2-yl)-1-phenylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C2=C(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations