Geometry & MOs

Info

ID:

327191

PubChem CID:

126689183

Reduced:

F4O6N7C45H45 (1)

Stoich.:

A4B6C7D45E45 (1)

Weight, g/mol:

390.150347

ΔHf, kcal/mol:

-292.92

Dipole, Da:

1.38

IP(EA), eV:

 -8.63(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3CC4CCC(CC4)(F)F)C5=CC=C(C=C5)C(=O)O)N=C2.CC1=C(C(=NO1)NC(=O)O)C2=CC3=C(C=CN3CC4CCC(CC4)(F)F)N=C2

DOS

IR

Vibrations