Geometry & MOs

Info

ID:	447681
PubChem CID:	135284752
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	4.4
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCOCC3)C#N)N

DOS

IR

Vibrations