Geometry & MOs

Info

ID:	210659
PubChem CID:	80836757
Reduced:	BrSN4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	312.00443
ΔH_f, kcal/mol:	69.12
Dipole, Da:	4.04
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NCC2=CC=C(S2)Br)N

DOS

IR

Vibrations