Geometry & MOs

Info

ID:	236645
PubChem CID:	92714304
Reduced:	ClFO2N3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	429.130026
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	3.05
IP(EA), eV:	-8.94(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethoxy)anilino]-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=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations