Geometry & MOs

Info

ID:	415111
PubChem CID:	135088097
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	7.04
IP(EA), eV:	-9.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCC(=O)N1C[C@H]([C@@H](C1)O)CC2=CC=CC=N2

DOS

IR

Vibrations