Geometry & MOs

Info

ID:	52844
PubChem CID:	14709065
Reduced:	O4N5H17C18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	29.9
Dipole, Da:	8.05
IP(EA), eV:	-9.21(-1.58)
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-oxopentan-2-ylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)N/N=C/C3=CC=CO3

DOS

IR

Vibrations