Geometry & MOs

Info

ID:	210665
PubChem CID:	80836763
Reduced:	BrSN6C10H13 (1)
Stoich.:	ABC6D10E13 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	83.37
Dipole, Da:	1.87
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-dimethyl-5-nitro-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NCC2=CC=C(S2)Br)N

DOS

IR

Vibrations