Geometry & MOs

Info

ID:	182669
PubChem CID:	76921840
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	54.93
Dipole, Da:	3.72
IP(EA), eV:	-8.87(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-2-methyl-3-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]propanenitrile

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations