Geometry & MOs

Info

ID:	203123
PubChem CID:	79782193
Reduced:	BrFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	230.123069
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	6.4
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,2-difluoroethoxy)pyridin-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2C)Br)OC)F

DOS

IR

Vibrations