Geometry & MOs

Info

ID:	145325
PubChem CID:	53500178
Reduced:	SN6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	120.23
Dipole, Da:	6.79
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(C=C2)NCC(C3=CC=CS3)N(C)C

DOS

IR

Vibrations