Geometry & MOs

Info

ID:	55704
PubChem CID:	17395867
Reduced:	ClN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-73.42
Dipole, Da:	4.61
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)CC1=C(C2=CC=CC=C2C(=C1)Cl)O

DOS

IR

Vibrations