Geometry & MOs

Info

ID:	140497
PubChem CID:	52710007
Reduced:	BrO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	6.2
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(2-ethoxyphenoxy)pyridin-3-yl]methyl]-3-[(2S)-4-phenylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)N3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations