Geometry & MOs

Info

ID:	45766
PubChem CID:	10517426
Reduced:	ClN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	287.96473
ΔH_f, kcal/mol:	49.82
Dipole, Da:	4.15
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-iodo-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC=C2Cl)N

DOS

IR

Vibrations