Geometry & MOs

Info

ID:	58693
PubChem CID:	24714733
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	6.76
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol

Drug info:

PubChemData

Smile

CN(CC1CC(=NO1)C2=CC=C(C=C2)Cl)CC(COCC#C)O

DOS

IR

Vibrations