Geometry & MOs

Info

ID:	73817
PubChem CID:	48420523
Reduced:	N2O5H16C20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	5.0
IP(EA), eV:	-9.86(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 5-cyclopropyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations