Geometry & MOs

Info

ID:	430737
PubChem CID:	135170804
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	1.43
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S)-3-(ethylamino)cyclohexyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=CC3=C(N2)C=CC=N3

DOS

IR

Vibrations