Geometry & MOs

Info

ID:	354231
PubChem CID:	127286195
Reduced:	F3O3N4C16H19 (1)
Stoich.:	A3B3C4D16E19 (1)
Weight, g/mol:	381.181919
ΔH_f, kcal/mol:	-278.64
Dipole, Da:	4.11
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(1-ethylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)C(=O)NC3=CC(=CNC3=O)C(F)(F)F

DOS

IR

Vibrations