Geometry & MOs

Info

ID:

317671

PubChem CID:

126644897

Reduced:

ON3C14H18 (2)

Stoich.:

AB3C14D18 (2)

Weight, g/mol:

448.258674

ΔHf, kcal/mol:

-9.14

Dipole, Da:

4.03

IP(EA), eV:

 -8.66(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]-1-methylpyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)C(=O)N[C@H]4CCC[C@@H]4OCC5=CC=CC=C5

DOS

IR

Vibrations