Geometry & MOs

Info

ID:	257394
PubChem CID:	103145788
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	8.81
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C(C)(C)C

DOS

IR

Vibrations