Geometry & MOs

Info

ID:	280839
PubChem CID:	103851558
Reduced:	NOF2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	2.51
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2-cyanophenyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)O)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations