Geometry & MOs

Info

ID:	134025
PubChem CID:	51626971
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	475.208763
ΔH_f, kcal/mol:	-78.25
Dipole, Da:	10.1
IP(EA), eV:	-8.42(0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-4-ium-1-yl]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)[C@H](C)C(=O)N3CCCC3

DOS

IR

Vibrations