Geometry & MOs

Info

ID:	5656
PubChem CID:	13443
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	217.085127
ΔH_f, kcal/mol:	35.66
Dipole, Da:	8.48
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=O

DOS

IR

Vibrations