Geometry & MOs

Info

ID:	435368
PubChem CID:	135191301
Reduced:	ON7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	422.161741
ΔH_f, kcal/mol:	64.04
Dipole, Da:	5.97
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methylamino]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=NC(=NC(=C3NC2=O)N)C4=NC=CN4

DOS

IR

Vibrations