Geometry & MOs

Info

ID:	167276
PubChem CID:	74801081
Reduced:	O2N4C30H39 (1)
Stoich.:	A2B4C30D39 (1)
Weight, g/mol:	483.2583
ΔH_f, kcal/mol:	-6.02
Dipole, Da:	1.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752259
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[4-(3-methylbutyl)-2,5-dioxo-4-[1-(2,3,6-trifluorobenzoyl)piperidin-4-yl]imidazolidin-1-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3CCC4(O3)CC[NH+](CC4)CCCC5=CC=CC=C5)C

DOS

IR

Vibrations