Geometry & MOs

Info

ID:	382975
PubChem CID:	134974433
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	399.138146
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	9.14
IP(EA), eV:	-10.8(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-5-cyano-2-(diethylamino)-4,4-bis(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)[NH3+])CC(=O)O.[Cl-]

DOS

IR

Vibrations