Geometry & MOs

Info

ID:	431247
PubChem CID:	135171318
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	2.66
IP(EA), eV:	-8.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[(1R,3S)-3-[ethyl(methyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1)CCCS2

DOS

IR

Vibrations