Geometry & MOs

Info

ID:	27933
PubChem CID:	824192
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	5.29
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=CC=C1[N+](=O)[O-])C2=CC=C(C=C2)OC

DOS

IR

Vibrations