Geometry & MOs

Info

ID:	273783
PubChem CID:	103799625
Reduced:	F3N3O3C11H16 (1)
Stoich.:	A3B3C3D11E16 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-256.8
Dipole, Da:	4.58
IP(EA), eV:	-9.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CN1C=CC(=N1)C(F)(F)F

DOS

IR

Vibrations