Geometry & MOs

Info

ID:	268518
PubChem CID:	103599741
Reduced:	ON5C26H39 (1)
Stoich.:	AB5C26D39 (1)
Weight, g/mol:	407.268511
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	4.47
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NCC3CCN(CC3)CCN(C)C)C

DOS

IR

Vibrations