Geometry & MOs

Info

ID:	181586
PubChem CID:	76763675
Reduced:	Cl3N4O7C26H35 (1)
Stoich.:	A3B4C7D26E35 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-240.12
Dipole, Da:	7.81
IP(EA), eV:	-9.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-7-chloro-2-phenylhept-3-en-2-ol

Drug info:

PubChemData

Smile

CC1C(OC(C(C1OCC2=CC=CC=C2)C)OC3C(C(C(OC3COC(=O)C)OC(=N)C(Cl)(Cl)Cl)N=[N+]=[N-])C)C

DOS

IR

Vibrations