Geometry & MOs

Info

ID:	400128
PubChem CID:	135045801
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	0.55
IP(EA), eV:	-10.11(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanyl-3,9a-dihydropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](OC)OCCCC=C

DOS

IR

Vibrations