Geometry & MOs

Info

ID:	405892
PubChem CID:	135075891
Reduced:	BrOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	407.0149
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	2.4
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-5-(5-chloro-2-iodoanilino)pent-2-enoate

Drug info:

PubChemData

Smile

CC1=CCC(OC1)C2=C(CCC3=CC=CC=C32)Br

DOS

IR

Vibrations