Geometry & MOs

Info

ID:	349650
PubChem CID:	127275802
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	2.68
IP(EA), eV:	-9.5(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-piperidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)C(=O)CNC(=O)NC2CCC3CCCCC3C2

DOS

IR

Vibrations