Geometry & MOs

Info

ID:	331740
PubChem CID:	127250024
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	413.190341
ΔH_f, kcal/mol:	-174.63
Dipole, Da:	2.64
IP(EA), eV:	-9.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-fluorophenyl)methyl]pyridin-2-yl]-4-(quinolin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=CC=CC(=N2)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations