Geometry & MOs

Info

ID:	332117
PubChem CID:	127250403
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	399.174691
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	5.63
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-fluorophenyl)pyridin-2-yl]-4-(quinolin-5-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC=C(C=C4)C(=O)N)OC

DOS

IR

Vibrations