Geometry & MOs

Info

ID:	69703
PubChem CID:	47205210
Reduced:	OS2N4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	67.23
Dipole, Da:	5.93
IP(EA), eV:	-9.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-oxo-3-(1H-pyrazol-5-ylmethylamino)propyl]carbamate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC(=CS2)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations