Geometry & MOs

Info

ID:	54333
PubChem CID:	17034472
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	438.153934
ΔH_f, kcal/mol:	-81.03
Dipole, Da:	3.84
IP(EA), eV:	-8.62(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4Z)-4-[1-[(4-methoxyphenyl)methylamino]ethylidene]-1-(4-nitrophenyl)-5-oxopyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1C)C)OC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations