Geometry & MOs

Info

ID:	184206
PubChem CID:	77126896
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-166.22
Dipole, Da:	3.82
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCC(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations