Geometry & MOs

Info

ID:	319244
PubChem CID:	126655420
Reduced:	N4H24C27 (1)
Stoich.:	A4B24C27 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	160.07
Dipole, Da:	2.62
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(phenylmethoxycarbonylamino)cyclohexyl]oxypyrazole-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1C#N)C2=NN(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations