Geometry & MOs

Info

ID:	276030
PubChem CID:	103820065
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	319.0354
ΔH_f, kcal/mol:	32.14
Dipole, Da:	3.05
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methoxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(CCSC)N(C)C1=NC=CN=C1N

DOS

IR

Vibrations