Geometry & MOs

Info

ID:	211082
PubChem CID:	80894488
Reduced:	OSN3C5H6 (2)
Stoich.:	ABC3D5E6 (2)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	72.98
Dipole, Da:	5.75
IP(EA), eV:	-9.03(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SC2=NC=NC(=C2[N+](=O)[O-])NCC

DOS

IR

Vibrations