Geometry & MOs

Info

ID:	329344
PubChem CID:	126735009
Reduced:	ON6C25H36 (1)
Stoich.:	AB6C25D36 (1)
Weight, g/mol:	479.224263
ΔH_f, kcal/mol:	20.42
Dipole, Da:	3.98
IP(EA), eV:	-8.19(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-hydroxy-2-[1-(1-methyl-4-thiophen-2-ylindazol-3-yl)cyclopropyl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC2C1CCCC2/C(=N/N)/NN)C3=CNC4=CC=CC(=C43)C5CC5

DOS

IR

Vibrations