Geometry & MOs

Info

ID:	137809
PubChem CID:	52265066
Reduced:	FO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	4.4
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)F)N2CCN(CC2)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations