Geometry & MOs

Info

ID:	309805
PubChem CID:	126559906
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	500.267508
ΔH_f, kcal/mol:	18.13
Dipole, Da:	6.11
IP(EA), eV:	-9.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[6-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]pyridin-3-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NN=NN2CC(C)(C)O)C

DOS

IR

Vibrations