Geometry & MOs

Info

ID:	435359
PubChem CID:	135191282
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	436.127773
ΔH_f, kcal/mol:	-20.97
Dipole, Da:	3.49
IP(EA), eV:	-8.41(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-chloro-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NNC2(N1CN(CC2)C(=O)C)C

DOS

IR

Vibrations