Geometry & MOs

Info

ID:	360532
PubChem CID:	127301177
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	353.077848
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	2.75
IP(EA), eV:	-8.66(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations