Geometry & MOs

Info

ID:	139287
PubChem CID:	52504388
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	5.57
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(morpholine-4-carbonyl)phenyl]-3-[(2R)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](CN1CCCC1=O)NC(=O)NC2=CC=CC(=C2)COC3=CC(=CC=C3)F

DOS

IR

Vibrations