Geometry & MOs

Info

ID:	26200
PubChem CID:	640987
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	141.99522
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	12.37
IP(EA), eV:	-7.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,4-dichlorobutan-2-ol

Drug info:

PubChemData

Smile

CC1=C2C=CNC(=C2C=C3C1=NC4=C3C5(C(=O)C=C4)OCCO5)C

DOS

IR

Vibrations