Geometry & MOs

Info

ID:	236609
PubChem CID:	92714227
Reduced:	N2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	413.135111
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	0.71
IP(EA), eV:	-8.45(2.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-[(4-methoxyphenyl)methyl]-7-[3-(trifluoromethyl)anilino]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]2CNC1

DOS

IR

Vibrations