Geometry & MOs

Info

ID:	354328
PubChem CID:	127286454
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	381.181919
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	3.78
IP(EA), eV:	-8.76(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-[(1-ethylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations