Geometry & MOs

Info

ID:	27934
PubChem CID:	824193
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-55.27
Dipole, Da:	7.69
IP(EA), eV:	-8.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=C(C=C(C=C2)O)O

DOS

IR

Vibrations