Geometry & MOs

Info

ID:	210658
PubChem CID:	80836756
Reduced:	BrSN4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	297.98878
ΔH_f, kcal/mol:	54.71
Dipole, Da:	2.08
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)NCC2=CC=C(S2)Br

DOS

IR

Vibrations