Geometry & MOs

Info

ID:	194570
PubChem CID:	78558093
Reduced:	N4O5C19H22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	9.84
IP(EA), eV:	-9.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

DOS

IR

Vibrations