Geometry & MOs

Info

ID:	236611
PubChem CID:	92714229
Reduced:	O2F3N3H18C22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-148.41
Dipole, Da:	3.07
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2-methoxyanilino)-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(F)(F)F

DOS

IR

Vibrations