Geometry & MOs

Info

ID:	46614
PubChem CID:	10525583
Reduced:	NO2H27C28 (1)
Stoich.:	AB2C27D28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	14.79
Dipole, Da:	3.33
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]propyl]-3-phenylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@H](COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)N

DOS

IR

Vibrations