Geometry & MOs

Info

ID:	449620
PubChem CID:	135300106
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	543.181901
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	2.75
IP(EA), eV:	-9.05(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(2Z)-2-[5-[5-[[hydroxy(phenyl)methyl]amino]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[2,3-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

CCC(C)C(N1CC2(C1)CCNCC2)O

DOS

IR

Vibrations