Geometry & MOs

Info

ID:	211216
PubChem CID:	80911547
Reduced:	O2N7C12H15 (1)
Stoich.:	A2B7C12D15 (1)
Weight, g/mol:	316.97461
ΔH_f, kcal/mol:	81.12
Dipole, Da:	5.3
IP(EA), eV:	-9.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)C2=NC=NC(=C2[N+](=O)[O-])NN

DOS

IR

Vibrations