Geometry & MOs

Info

ID:	338226
PubChem CID:	127258918
Reduced:	NO2C13H21 (2)
Stoich.:	AB2C13D21 (2)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-216.29
Dipole, Da:	4.04
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

DOS

IR

Vibrations