Geometry & MOs

Info

ID:	264611
PubChem CID:	103476010
Reduced:	NSO2F3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	289.140197
ΔH_f, kcal/mol:	-209.24
Dipole, Da:	5.05
IP(EA), eV:	-9.81(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-(2,2,2-trifluoroethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=N1)COCC(F)(F)F

DOS

IR

Vibrations