Geometry & MOs

Info

ID:	377748
PubChem CID:	134223813
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-212.96
Dipole, Da:	16.05
IP(EA), eV:	-8.92(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2,5-dimethylhex-5-en-3-yl(methyl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC

DOS

IR

Vibrations