Geometry & MOs

Info

ID:	268196
PubChem CID:	103598330
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	11.3
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CNC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations