Geometry & MOs

Info

ID:	324348
PubChem CID:	126677482
Reduced:	ClN6H11C18 (1)
Stoich.:	AB6C11D18 (1)
Weight, g/mol:	418.244327
ΔH_f, kcal/mol:	173.33
Dipole, Da:	4.03
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclopropylmethylimino)-5-ethyl-1-(3,3,3-trifluoropropanoyl)piperidin-2-yl]ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Cl)C2=NN3C=CC=C3C(=N2)N4C=CC5=C4C=CN=C5

DOS

IR

Vibrations