Geometry & MOs

Info

ID:	137762
PubChem CID:	52258695
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	328.195092
ΔH_f, kcal/mol:	4.09
Dipole, Da:	3.56
IP(EA), eV:	-8.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-diethylphenyl)-1-[(1S)-1-(2-fluorophenyl)ethyl]-1-methylurea

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations