Geometry & MOs

Info

ID:	38093
PubChem CID:	8026954
Reduced:	F2O2N4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	415.163102
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	5.56
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-ethoxy-4-[(E)-3-(2-hydroxy-6-methyl-4-oxopyran-3-yl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations