Geometry & MOs

Info

ID:	236637
PubChem CID:	92714291
Reduced:	ON2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	46.32
Dipole, Da:	5.91
IP(EA), eV:	-8.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations