Geometry & MOs

Info

ID:	183638
PubChem CID:	77047155
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	3.12
IP(EA), eV:	-9.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-difluorophenyl)methyl]-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)CC2=C(C=C(C=C2)F)F)C

DOS

IR

Vibrations