Geometry & MOs

Info

ID:	286866
PubChem CID:	104223302
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	277.102668
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	4.85
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2=NC=C(C=N2)CNCCOC

DOS

IR

Vibrations