Geometry & MOs

Info

ID:	58824
PubChem CID:	24714910
Reduced:	ClN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	6.91
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-prop-2-enylamino]-3-prop-2-enoxypropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC1CC(=NO1)C2=CC=C(C=C2)Cl)CC(COC)O

DOS

IR

Vibrations