Geometry & MOs

Info

ID:	187422
PubChem CID:	77571701
Reduced:	SN2F3O3C25H29 (1)
Stoich.:	AB2C3D3E25F29 (1)
Weight, g/mol:	478.18279
ΔH_f, kcal/mol:	-237.64
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propoxy-3-[4-(pyrrolidin-3-ylamino)phenyl]pyrido[1,2-a]pyrimidin-4-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)SC(C2CCCC3C2CNN3)C4=CC=C(C=C4)C(F)(F)F)OCC(=O)O

DOS

IR

Vibrations