Geometry & MOs

Info

ID:	156811
PubChem CID:	56394448
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	416.150285
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	1.6
IP(EA), eV:	-8.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations