Geometry & MOs

Info

ID:	404130
PubChem CID:	135065104
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	446.293328
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	7.99
IP(EA), eV:	-9.77(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-decyl-3-phenylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(NN=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

DOS

IR

Vibrations