Geometry & MOs

Info

ID:	194448
PubChem CID:	78538316
Reduced:	ClN2O5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	8.38
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)O

DOS

IR

Vibrations