Geometry & MOs

Info

ID:	441138
PubChem CID:	135233277
Reduced:	NO6C31H45 (1)
Stoich.:	AB6C31D45 (1)
Weight, g/mol:	412.258674
ΔH_f, kcal/mol:	-289.15
Dipole, Da:	3.19
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(Z)-4-amino-2-methyliminobut-3-enoyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)CC(C)C(C)C(C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O)O

DOS

IR

Vibrations