Geometry & MOs

Info

ID:	187613
PubChem CID:	77597979
Reduced:	NCl2O3C11H12 (2)
Stoich.:	AB2C3D11E12 (2)
Weight, g/mol:	175.084458
ΔH_f, kcal/mol:	-245.75
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)oxan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CNCC1N(CC2=C(C=C(C=C2)Cl)Cl)CC3=C(C=C(C=C3)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations