Geometry & MOs

Info

ID:	229884
PubChem CID:	87569436
Reduced:	O2Cl3H9C12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	163.048072
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	3.59
IP(EA), eV:	-9.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy(3-hydroxypropyl)carbamic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@]1(C2=CC(=C(C=C2)Cl)Cl)C(=O)O)/C=C\Cl

DOS

IR

Vibrations