Geometry & MOs

Info

ID:	298920
PubChem CID:	117664344
Reduced:	FO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	449.221561
ΔH_f, kcal/mol:	-172.46
Dipole, Da:	4.46
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indol-5-yl]phenyl]cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)O)/C=C/C2=CC=C(C=C2)F)OC

DOS

IR

Vibrations