Geometry & MOs

Info

ID:	40963
PubChem CID:	8145027
Reduced:	N3O7H13C16 (1)
Stoich.:	A3B7C13D16 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	8.25
IP(EA), eV:	-9.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC(=O)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations