Geometry & MOs

Info

ID:	127354
PubChem CID:	50999617
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	39.76
Dipole, Da:	2.71
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-tert-butylphenyl)methyl]-4-nitropyrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CN2C=C(C=N2)N

DOS

IR

Vibrations