Geometry & MOs

Info

ID:	335764
PubChem CID:	127254626
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	3.7
Dipole, Da:	2.85
IP(EA), eV:	-8.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1[C@@H]3CCCN3C(=O)CCCN4C=CC=C4

DOS

IR

Vibrations