Geometry & MOs

Info

ID:	201379
PubChem CID:	79530701
Reduced:	BrF3N6H10C11 (1)
Stoich.:	AB3C6D10E11 (1)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	-67.37
Dipole, Da:	7.95
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-nitropyridin-2-amine

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C3=C(C=C(C=N3)N)Br

DOS

IR

Vibrations