Geometry & MOs

Info

ID:	442644
PubChem CID:	135253579
Reduced:	ON4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	408.158626
ΔH_f, kcal/mol:	47.7
Dipole, Da:	6.0
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CNC3=C2C=C(C=N3)C4=CC(=CC(=C4)C)NC(=O)/C=C/CN(C)C

DOS

IR

Vibrations