Geometry & MOs

Info

ID:	333035
PubChem CID:	127251459
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	441.185255
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.74
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=CC(=NC(=C2)C)C3CN(CCO3)CC(=O)NCC4=CC=CC=N4

DOS

IR

Vibrations