Geometry & MOs

Info

ID:	211044
PubChem CID:	80888081
Reduced:	SN3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	308.99353
ΔH_f, kcal/mol:	13.02
Dipole, Da:	2.25
IP(EA), eV:	-8.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-5-bromo-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCSC1=NC=NC(=C1CC)NC

DOS

IR

Vibrations