Geometry & MOs

Info

ID:	132031
PubChem CID:	51295657
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	3.26
IP(EA), eV:	-8.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)N2CCC(CC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations