Geometry & MOs

Info

ID:	58681
PubChem CID:	24714721
Reduced:	ClN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	5.24
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enylamino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCC(CN(CC=C)CC1CC(=NO1)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations