Geometry & MOs

Info

ID:	268996
PubChem CID:	103604655
Reduced:	SCl2N2O2H6C7 (1)
Stoich.:	AB2C2D2E6F7 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	2.34
IP(EA), eV:	-9.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylhexylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(SC(=C1C(=O)NCC(=O)N)Cl)Cl

DOS

IR

Vibrations