Geometry & MOs

Info

ID:	185181
PubChem CID:	77266796
Reduced:	O4N6C41H50 (1)
Stoich.:	A4B6C41D50 (1)
Weight, g/mol:	491.25842
ΔH_f, kcal/mol:	-132.45
Dipole, Da:	6.31
IP(EA), eV:	-9.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[3-[1-[4-[(4-fluorophenyl)methoxy]phenyl]propylamino]pyrrolidin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(C(=O)N2CCC3(CC2)C(=O)N(CN3C4=CC=CC=C4)CC(=O)NC5CCCCC5)NC(=O)C6CC7=CC=CC=C7CN6

DOS

IR

Vibrations