Geometry & MOs

Info

ID:	264613
PubChem CID:	103476212
Reduced:	ON3F4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	275.124547
ΔH_f, kcal/mol:	-233.38
Dipole, Da:	6.76
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2,2-trifluoroethoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1C)C)COCC(C(F)F)(F)F

DOS

IR

Vibrations