Geometry & MOs

Info

ID:	184205
PubChem CID:	77126872
Reduced:	O4N5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	7.06
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CNC3NC4C(C(C(C(=O)N4)C#N)C5CCC=CC5)C(=O)N3)OC1

DOS

IR

Vibrations