Geometry & MOs

Info

ID:	203931
PubChem CID:	79891256
Reduced:	F2O2N3C12H13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	227.11217
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	3.62
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropylmethoxy)-3,5-difluorophenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNCC1=CC(=C(C(=C1)F)OCC(=O)NCC#N)F

DOS

IR

Vibrations