Geometry & MOs

Info

ID:	431551
PubChem CID:	135171639
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	479.257277
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	8.04
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(E)-1-isoquinolin-5-ylprop-1-en-2-yl]indole-1-carbonyl]piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations