Geometry & MOs

Info

ID:	148445
PubChem CID:	53788107
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	570.294116
ΔH_f, kcal/mol:	13.96
Dipole, Da:	2.11
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoylamino]-2-[methyl-(2-octoxyacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(=N)COC1=CC=C(C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations