Geometry & MOs

Info

ID:

419975

PubChem CID:

135110474

Reduced:

O3N4C16H21 (2)

Stoich.:

A3B4C16D21 (2)

Weight, g/mol:

399.215806

ΔHf, kcal/mol:

-219.06

Dipole, Da:

6.86

IP(EA), eV:

 -9.31(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC(=CN2C)C#N)C)CC3=CC=CC=C3

DOS

IR

Vibrations