Geometry & MOs

Info

ID:	257249
PubChem CID:	103144656
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	13.4
Dipole, Da:	4.71
IP(EA), eV:	-8.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CN=CN=C2)C)N

DOS

IR

Vibrations