Geometry & MOs

Info

ID:	192449
PubChem CID:	78270751
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	320.233802
ΔH_f, kcal/mol:	32.63
Dipole, Da:	5.29
IP(EA), eV:	-9.25(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=NC(=O)C23)CC#N

DOS

IR

Vibrations