Geometry & MOs

Info

ID:	305903
PubChem CID:	124973838
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	442.238019
ΔH_f, kcal/mol:	36.94
Dipole, Da:	3.0
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-[(4-fluorophenoxy)methyl]-4-(pyridin-3-ylmethyl)morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)[C@H]3CN(CCO3)C(=O)C4=CC=NN4

DOS

IR

Vibrations