Geometry & MOs

Info

ID:	192794
PubChem CID:	78312687
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-(1-oxo-5a,6,7,8,9,9a,10,10a-octahydro-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)CCCCN2C(=O)C3C(=NC2=O)C=CS3

DOS

IR

Vibrations