Geometry & MOs

Info

ID:	236652
PubChem CID:	92714331
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	435.100618
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	3.68
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-[(4-methoxyphenyl)methyl]-7-(2,3,4,5,6-pentafluoroanilino)-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=C(C=C4)C(=O)OC

DOS

IR

Vibrations