Geometry & MOs

Info

ID:

446445

PubChem CID:

135275015

Reduced:

FNC9H17 (2)

Stoich.:

ABC9D17 (2)

Weight, g/mol:

541.203779

ΔHf, kcal/mol:

-152.88

Dipole, Da:

4.06

IP(EA), eV:

 -8.43(2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N1CCCC(C(C1)(F)F)CC(C)(C)N2CCCC2

DOS

IR

Vibrations