Geometry & MOs

Info

ID:

378613

PubChem CID:

134224705

Reduced:

FN5C25H32 (1)

Stoich.:

AB5C25D32 (1)

Weight, g/mol:

494.261709

ΔHf, kcal/mol:

87.59

Dipole, Da:

1.13

IP(EA), eV:

 -8.23(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-[3-[1-[5-(oxetan-3-yl)-3-propan-2-yl-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepin-7-yl]propan-2-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1)C)F)N(C)/C=C\C(=C/C=C)\C(=NC(=NC)/C=C\N)/C=C\N=C

DOS

IR

Vibrations