Geometry & MOs

Info

ID:	7140
PubChem CID:	71351
Reduced:	FO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	5.68
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

DOS

IR

Vibrations