Geometry & MOs

Info

ID:	188312
PubChem CID:	77697430
Reduced:	NO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	396.129692
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	5.2
IP(EA), eV:	-9.09(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dioxo-7-[3-(trifluoromethyl)anilino]-3,4,7,8,11,11a-hexahydro-1H-pyrido[1,2-a]azocine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCCCC1=CC2CC(C(C2C1)C=CC(C3=CC=CC=C3)O)O

DOS

IR

Vibrations