Geometry & MOs

Info

ID:	360640
PubChem CID:	127301285
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	323.103669
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	4.67
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC3=NC=C(O3)C4=CC=CS4

DOS

IR

Vibrations