Geometry & MOs

Info

ID:	210596
PubChem CID:	80828583
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	353.12151
ΔH_f, kcal/mol:	60.81
Dipole, Da:	2.2
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-ethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NCCC2=NC=CS2)N

DOS

IR

Vibrations