Geometry & MOs

Info

ID:	272354
PubChem CID:	103740340
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	329.140927
ΔH_f, kcal/mol:	-99.0
Dipole, Da:	2.46
IP(EA), eV:	-9.38(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methyl-1-[(5-nitrothiophen-3-yl)methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)CNCC1=CN=CN1

DOS

IR

Vibrations