Geometry & MOs

Info

ID:	17800
PubChem CID:	520253
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	22.4
Dipole, Da:	4.82
IP(EA), eV:	-10.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethyl-4-nitropyrazol-3-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])C(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations