Geometry & MOs

Info

ID:	389456
PubChem CID:	134993037
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	196.065493
ΔH_f, kcal/mol:	-253.88
Dipole, Da:	3.12
IP(EA), eV:	-10.68(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,1S,2S)-4-chloro-2-methyl-1-phenylbut-3-en-1-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@@](C)(COC(=O)C)O)OC(=O)C

DOS

IR

Vibrations