Geometry & MOs

Info

ID:	196757
PubChem CID:	78874679
Reduced:	BrN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	405.0688
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	1.36
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCCNC(=O)C2=CC(=CC=C2)OC)Br

DOS

IR

Vibrations