Geometry & MOs

Info

ID:	444728
PubChem CID:	135263384
Reduced:	NOC9H12 (4)
Stoich.:	ABC9D12 (4)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-151.83
Dipole, Da:	2.34
IP(EA), eV:	-8.51(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-benzylidene-2-methylhept-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=C(C=CC(=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C)N5CCCCC5

DOS

IR

Vibrations