Geometry & MOs

Info

ID:

415966

PubChem CID:

135088971

Reduced:

O6N7C39H51 (1)

Stoich.:

A6B7C39D51 (1)

Weight, g/mol:

387.19582

ΔHf, kcal/mol:

-220.84

Dipole, Da:

6.34

IP(EA), eV:

 -8.92(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclohexen-1-yl)ethyl]-3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CN(N=C4)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations