Geometry & MOs

Info

ID:	403740
PubChem CID:	135061642
Reduced:	SiN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	454.196903
ΔH_f, kcal/mol:	-53.76
Dipole, Da:	1.78
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-dibenzyl-2,6-difluoro-1-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=C3C=CN(C3=NC=C2)COCC[Si](C)(C)C

DOS

IR

Vibrations