Geometry & MOs

Info

ID:	269614
PubChem CID:	103618210
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	4.41
IP(EA), eV:	-8.59(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2CCN3C2CCCC3

DOS

IR

Vibrations