Geometry & MOs

Info

ID:	447648
PubChem CID:	135284457
Reduced:	O2F3N3C24H30 (1)
Stoich.:	A2B3C3D24E30 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-221.22
Dipole, Da:	3.62
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-2,4-dimethylpentoxy)-5-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)C3(CCC3)C(=O)N)C(F)(F)F)N

DOS

IR

Vibrations