Geometry & MOs

Info

ID:	356716
PubChem CID:	127292197
Reduced:	ClO3N4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-115.96
Dipole, Da:	3.66
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations