Geometry & MOs

Info

ID:	405004
PubChem CID:	135072117
Reduced:	N3C22H27 (1)
Stoich.:	A3B22C27 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	76.59
Dipole, Da:	8.26
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-6-(3-methoxyphenyl)-3-methylhex-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CN(CC=C)CC1=CC=CC=C1)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations