Geometry & MOs

Info

ID:	399535
PubChem CID:	135040779
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	255.9749
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	5.07
IP(EA), eV:	-9.23(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-buta-1,3-dien-2-yl-4-iodobenzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1N2CC3=CC=CC=C3C[C@H]2C(=O)O1

DOS

IR

Vibrations