Geometry & MOs

Info

ID:

446456

PubChem CID:

135275114

Reduced:

FO2N7C30H32 (1)

Stoich.:

AB2C7D30E32 (1)

Weight, g/mol:

505.222623

ΔHf, kcal/mol:

-8.92

Dipole, Da:

7.35

IP(EA), eV:

 -8.68(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-3-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1CCNCC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations