Geometry & MOs

Info

ID:	431350
PubChem CID:	135171425
Reduced:	ClO4N5C33H34 (1)
Stoich.:	AB4C5D33E34 (1)
Weight, g/mol:	439.225977
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	5.88
IP(EA), eV:	-8.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[(E)-1-isoquinolin-5-ylprop-1-en-2-yl]indol-1-yl]-3-oxopropyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)C(OC)OC)C3=C(C(=CC=C3)NC(=O)C4=NC=C(C=C4)CN5CCCC5)Cl

DOS

IR

Vibrations