Geometry & MOs

Info

ID:	271343
PubChem CID:	103655022
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-235.77
Dipole, Da:	4.94
IP(EA), eV:	-9.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[4-(hydroxymethyl)oxan-4-yl]amino]acetate

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations