Geometry & MOs

Info

ID:	187700
PubChem CID:	77612457
Reduced:	N2F3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-276.07
Dipole, Da:	3.98
IP(EA), eV:	-9.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-phenylethyl)morpholine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(=O)OC1=CC=CC=C1C(F)(F)F)N

DOS

IR

Vibrations