Geometry & MOs

Info

ID:

423994

PubChem CID:

135120958

Reduced:

OF3N7H26C27 (1)

Stoich.:

AB3C7D26E27 (1)

Weight, g/mol:

465.227709

ΔHf, kcal/mol:

-62.47

Dipole, Da:

3.82

IP(EA), eV:

 -8.77(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropyl-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2=CC=C(C=C2)CN3C=C(C(=N3)C(F)(F)F)C(=O)NCC4=C(N=C5C(=C4C)C=CN5)C

DOS

IR

Vibrations