Geometry & MOs

Info

ID:

317642

PubChem CID:

126644720

Reduced:

F2O2N5C32H39 (1)

Stoich.:

A2B2C5D32E39 (1)

Weight, g/mol:

431.232125

ΔHf, kcal/mol:

-143.21

Dipole, Da:

2.56

IP(EA), eV:

 -8.87(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-(2,3-dihydro-1H-inden-5-yloxymethyl)cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CO[C@H]2CNC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=CC=C(C=C4)CN5CCCC(C5)(F)F)N)C

DOS

IR

Vibrations