Geometry & MOs

Info

ID:	144494
PubChem CID:	53377475
Reduced:	FNO3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	425.221561
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	5.07
IP(EA), eV:	-10.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1R,2R)-1-[2-(benzotriazol-2-yl)-4-methylphenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=CO2)C(=O)O)F

DOS

IR

Vibrations