Geometry & MOs

Info

ID:	194573
PubChem CID:	78558096
Reduced:	N4O6C17H20 (1)
Stoich.:	A4B6C17D20 (1)
Weight, g/mol:	346.12772
ΔH_f, kcal/mol:	-127.78
Dipole, Da:	4.85
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-anilino-1-oxopropan-2-yl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2=CC=CC=C2OC)C)[N+](=O)[O-]

DOS

IR

Vibrations