Geometry & MOs

Info

ID:	191993
PubChem CID:	78210775
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	29.54
Dipole, Da:	7.56
IP(EA), eV:	-8.23(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-phenylmethyl] thiocyanate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NCC2C=C3C=CC(=CC3=NC2=O)C

DOS

IR

Vibrations