Geometry & MOs

Info

ID:

144377

PubChem CID:

53358611

Reduced:

OF2N7C21H25 (1)

Stoich.:

AB2C7D21E25 (1)

Weight, g/mol:

620.243339

ΔHf, kcal/mol:

-30.79

Dipole, Da:

4.45

IP(EA), eV:

 -8.77(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(11E,14S)-16,18-diazatricyclo[13.2.1.02,7]octadeca-1(17),2,4,6,11,15-hexaen-14-yl]cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations