Geometry & MOs

Info

ID:	180337
PubChem CID:	76617133
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	400.08993
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	6.14
IP(EA), eV:	-9.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-tert-butylphenyl)-6-iodohex-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2CCC3C(C2)NCNC3=O

DOS

IR

Vibrations