Geometry & MOs

Info

ID:	342122
PubChem CID:	127264835
Reduced:	ClFO2N3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	5.91
IP(EA), eV:	-9.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-N,N-dimethyl-2-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(C(C(=O)N1)C2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations