Geometry & MOs

Info

ID:	58682
PubChem CID:	24714722
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	3.3
IP(EA), eV:	-8.88(-0.82)
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]pentan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations