Geometry & MOs

Info

ID:	210259
PubChem CID:	80782016
Reduced:	SN4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	312.00443
ΔH_f, kcal/mol:	49.33
Dipole, Da:	3.08
IP(EA), eV:	-8.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC(=N1)C)N(C)CC2=CSC=C2)C

DOS

IR

Vibrations