Geometry & MOs

Info

ID:	173868
PubChem CID:	75691368
Reduced:	O2N4C20H29 (1)
Stoich.:	A2B4C20D29 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	0.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.882578
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=CC=CC=C1N2CCCCC2)C3=CC=CO3

DOS

IR

Vibrations