Geometry & MOs

Info

ID:	19437
PubChem CID:	563715
Reduced:	N3O4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	6.35
IP(EA), eV:	-10.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-5-nitropyrazole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NN1CC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations