Geometry & MOs

Info

ID:	192824
PubChem CID:	78316461
Reduced:	ON2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126469
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(3,6-dimethyl-2,4-dioxo-1,3-diazinan-1-yl)octyl]-3,6-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC[NH+](CC1C(NC2CCC(CC2C1=O)C)C)CC3=CC=CC=C3

DOS

IR

Vibrations