Geometry & MOs

Info

ID:	440656
PubChem CID:	135230817
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	497.229012
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	3.64
IP(EA), eV:	-8.94(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-5-azaspiro[2.3]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)CN(CCNC)C(C)C

DOS

IR

Vibrations