Geometry & MOs

Info

ID:	190622
PubChem CID:	78032131
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	462.176642
ΔH_f, kcal/mol:	37.33
Dipole, Da:	2.58
IP(EA), eV:	-8.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-amino-5-oxo-5-[4-(trifluoromethoxy)phenyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCCCN2C=CC=C(C2=S)O)C3CNNN3

DOS

IR

Vibrations