Geometry & MOs

Info

ID:	342396
PubChem CID:	127265219
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	6.05
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1-pyridin-4-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCC(=C)Br)O

DOS

IR

Vibrations