Geometry & MOs

Info

ID:	27935
PubChem CID:	824197
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	34.61
Dipole, Da:	10.21
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations