Geometry & MOs

Info

ID:	270915
PubChem CID:	103638761
Reduced:	ClSN2O2C13H21 (1)
Stoich.:	ABC2D2E13F21 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-90.06
Dipole, Da:	3.58
IP(EA), eV:	-9.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CCNCC1=CC=C(S1)Cl

DOS

IR

Vibrations