Geometry & MOs

Info

ID:

323644

PubChem CID:

126675644

Reduced:

N2O2C27H36 (1)

Stoich.:

A2B2C27D36 (1)

Weight, g/mol:

608.347489

ΔHf, kcal/mol:

-39.31

Dipole, Da:

4.06

IP(EA), eV:

 -8.46(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S)-2-[[4-[4-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CC4)N5CCN(CC5)CCO

DOS

IR

Vibrations