Geometry & MOs

Info

ID:	447646
PubChem CID:	135284445
Reduced:	O2F3N3C25H32 (1)
Stoich.:	A2B3C3D25E32 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-229.32
Dipole, Da:	3.24
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-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)NC(=O)C3CCCC3)C(F)(F)F)N

DOS

IR

Vibrations