Geometry & MOs

Info

ID:	340925
PubChem CID:	127263360
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-130.74
Dipole, Da:	2.61
IP(EA), eV:	-9.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxycyclohexyl) N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC(=NC=C2)Cl

DOS

IR

Vibrations