Geometry & MOs

Info

ID:	448709
PubChem CID:	135292922
Reduced:	F3N4O4C33H35 (1)
Stoich.:	A3B4C4D33E35 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-220.75
Dipole, Da:	2.21
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-3-amino-5,5,5-trifluoro-4-methanimidoylpent-3-enyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)C#CC4=CCC=CC=C4CC(=O)OC)C(F)(F)F

DOS

IR

Vibrations