Geometry & MOs

Info

ID:	2148
PubChem CID:	6009
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	16.83
Dipole, Da:	3.99
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations