Geometry & MOs

Info

ID:	399743
PubChem CID:	135042193
Reduced:	NSO14C20H35 (1)
Stoich.:	ABC14D20E35 (1)
Weight, g/mol:	242.086228
ΔH_f, kcal/mol:	-650.56
Dipole, Da:	8.36
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(1-phenylbut-2-enyl)benzene

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)O)SCCCOCC2[C@@H](C(C([C@@H](O2)O)O)O)O)O

DOS

IR

Vibrations