Geometry & MOs

Info

ID:	50530
PubChem CID:	12013075
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	231.03711
ΔH_f, kcal/mol:	15.62
Dipole, Da:	1.25
IP(EA), eV:	-8.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanoethylamino)-dimethyl-prop-2-ynylazanium;bromide

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3)O

DOS

IR

Vibrations