Geometry & MOs

Info

ID:	84093
PubChem CID:	49864113
Reduced:	OCl2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	299.095771
ΔH_f, kcal/mol:	65.43
Dipole, Da:	6.31
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-4-hydroxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNCC(=O)C2=CN3C(=C(C(=NC3=N2)C)CN)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations