Geometry & MOs

Info

ID:	6876
PubChem CID:	70371
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	6.29
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations