Geometry & MOs

Info

ID:	184875
PubChem CID:	77222528
Reduced:	BrO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	1.03
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexen-1-yl)-1-[(2,6-dimethyloxan-4-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1COCCN1CCN2C3=C(N=CC(=C3)Br)N(C2=O)C4=CCCCC4

DOS

IR

Vibrations