Geometry & MOs

Info

ID:	258077
PubChem CID:	103150738
Reduced:	OF3N3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	257.133969
ΔH_f, kcal/mol:	-168.13
Dipole, Da:	4.62
IP(EA), eV:	-9.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)CCOCC(F)(F)F)CN

DOS

IR

Vibrations