Geometry & MOs

Info

ID:	145901
PubChem CID:	53609325
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	3.39
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(dimethylamino)methyl]morpholin-4-yl]methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)NC2=C(NN=C2C(=O)N)C)OC

DOS

IR

Vibrations