Geometry & MOs

Info

ID:	146880
PubChem CID:	53765235
Reduced:	NC15H27 (1)
Stoich.:	AB15C27 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	2.32
IP(EA), eV:	-8.44(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-methylsulfonyl-6-(2-piperidin-4-ylethenyl)indazol-3-yl]piperidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCN1CCCCC1)C)C

DOS

IR

Vibrations