Geometry & MOs

Info

ID:	233497
PubChem CID:	90944880
Reduced:	N7C18H39 (1)
Stoich.:	A7B18C39 (1)
Weight, g/mol:	552.331171
ΔH_f, kcal/mol:	1.84
Dipole, Da:	3.1
IP(EA), eV:	-8.72(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-[4-(2-ethoxy-2-oxo-1-phenylethyl)-1H-pyrazol-5-yl]-4-methylcyclohexanecarbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CCCNCC(CNC1)C(CNCCNCC(C2)(CN)N)N

DOS

IR

Vibrations