Geometry & MOs

Info

ID:	391108
PubChem CID:	135002874
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	34.28
Dipole, Da:	4.3
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5S)-5-(4-methoxyanilino)-5-(3-methylphenyl)pent-2-enoate

Drug info:

PubChemData

Smile

CC(C)C/C=N/C1=C(N=C2N1C=CC=C2)CC(C)C

DOS

IR

Vibrations