Geometry & MOs

Info

ID:	124548
PubChem CID:	50887213
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	6.11
Dipole, Da:	1.21
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NC2=CC=CC=C2)OCCC3=CC=CC=C3

DOS

IR

Vibrations