Geometry & MOs

Info

ID:	137811
PubChem CID:	52265500
Reduced:	ON4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967246
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCCCC3

DOS

IR

Vibrations