Geometry & MOs

Info

ID:	447109
PubChem CID:	135280350
Reduced:	O4N5C35H43 (1)
Stoich.:	A4B5C35D43 (1)
Weight, g/mol:	368.152478
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	5.77
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-(3-hydroxynaphthalen-1-yl)-1H-indol-3-yl]azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(C(=CC(=C2)C3=CC=C(C=C3)CN4CCC(CC4)O)NC5CCN(C5)C(=O)C=C)C)C

DOS

IR

Vibrations