Geometry & MOs

Info

ID:	444690
PubChem CID:	135263270
Reduced:	N2O4C33H38 (1)
Stoich.:	A2B4C33D38 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-116.71
Dipole, Da:	5.77
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-(3-ethylphenyl)-4-methylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(C=C5)CCC(=O)OC(C)(C)C)C

DOS

IR

Vibrations