Geometry & MOs

Info

ID:	319245
PubChem CID:	126655422
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-179.77
Dipole, Da:	3.91
IP(EA), eV:	-9.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC(=N1)OC2CCC(CC2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations