Geometry & MOs

Info

ID:	404137
PubChem CID:	135065115
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	1.37
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-naphthalen-1-yl-1-phenylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CC=C2)/C=C/C3=CC=CO3

DOS

IR

Vibrations