Geometry & MOs

Info

ID:	331925
PubChem CID:	127250211
Reduced:	F3N3O3C21H22 (1)
Stoich.:	A3B3C3D21E22 (1)
Weight, g/mol:	395.199762
ΔH_f, kcal/mol:	-246.37
Dipole, Da:	4.17
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-benzylpyridin-2-yl)-4-(quinolin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NC=C(C=C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations