Geometry & MOs

Info

ID:	154740
PubChem CID:	56314256
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	471.19582
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	9.14
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC(=CC=C2)N3CCCCC3=O

DOS

IR

Vibrations