Geometry & MOs

Info

ID:	332177
PubChem CID:	127250463
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	369.185255
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	6.85
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCOC(C1)C2=CC=CC(=N2)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations