Geometry & MOs

Info

ID:

419349

PubChem CID:

135108017

Reduced:

O4N7C37H45 (1)

Stoich.:

A4B7C37D45 (1)

Weight, g/mol:

357.205242

ΔHf, kcal/mol:

-128.58

Dipole, Da:

9.84

IP(EA), eV:

 -8.14(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=C(NC(=N5)C6=CC=CC=C6)C)C(C)C

DOS

IR

Vibrations