Geometry & MOs

Info

ID:	166287
PubChem CID:	74664024
Reduced:	FNS2O4C19H22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-181.25
Dipole, Da:	4.41
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(morpholin-4-ylmethyl)phenyl]-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2CS(=O)(=O)CC2S(=O)(=O)C3=C(C=C(C=C3)F)C

DOS

IR

Vibrations