Geometry & MOs

Info

ID:	205720
PubChem CID:	80143078
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	307.146681
ΔH_f, kcal/mol:	27.26
Dipole, Da:	5.57
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-propoxypyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=O)N(N2)CCCC3=CC=CC=C3)Br

DOS

IR

Vibrations