Geometry & MOs

Info

ID:	236680
PubChem CID:	92714412
Reduced:	ClFON3H15C20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	399.119461
ΔH_f, kcal/mol:	0.04
Dipole, Da:	2.95
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-benzyl-7-[4-(trifluoromethoxy)anilino]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations