Geometry & MOs

Info

ID:	190014
PubChem CID:	77942008
Reduced:	B2N3O3C23H33 (1)
Stoich.:	A2B3C3D23E33 (1)
Weight, g/mol:	413.304228
ΔH_f, kcal/mol:	-240.3
Dipole, Da:	5.59
IP(EA), eV:	-8.45(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-cyclohexylphenyl)pyrazolidin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=C(N3)C4C5CCC(N4B(C)O)CC5

DOS

IR

Vibrations