Geometry & MOs

Info

ID:	182366
PubChem CID:	76881182
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	11.59
Dipole, Da:	8.74
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1H-indol-5-ylamino)ethyl]-2,6-dimethyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C(C)NC(C2CC2)C3CC3)C

DOS

IR

Vibrations