Geometry & MOs

Info

ID:	435136
PubChem CID:	135181466
Reduced:	OSN2C5H10 (1)
Stoich.:	ABC2D5E10 (1)
Weight, g/mol:	361.07897
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	2.12
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(6-tert-butylpyridin-3-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@@H](CSC(=N1)N)CO

DOS

IR

Vibrations