Geometry & MOs

Info

ID:	52842
PubChem CID:	14709060
Reduced:	O5N6H18C20 (1)
Stoich.:	A5B6C18D20 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	55.96
Dipole, Da:	7.19
IP(EA), eV:	-9.51(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations