Geometry & MOs

Info

ID:

164682

PubChem CID:

74437335

Reduced:

O6N7C44H73 (1)

Stoich.:

A6B7C44D73 (1)

Weight, g/mol:

463.204448

ΔHf, kcal/mol:

-287.14

Dipole, Da:

3.73

IP(EA), eV:

 -8.66(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methylphenyl)tetrazol-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5CN(CCN5C)C(C)C)C(C36CCC6)(C)C

DOS

IR

Vibrations