Geometry & MOs

Info

ID:	187386
PubChem CID:	77567878
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	518.177704
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	3.44
IP(EA), eV:	-9.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2,6-dioxo-N-[[4-(6-oxopiperidin-3-yl)-2-(trifluoromethoxy)phenyl]methyl]-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC=CC=C1)C(=O)NC2=C(N=CC(=C2)C3=CC=NC=C3)OC

DOS

IR

Vibrations