Geometry & MOs

Info

ID:	268061
PubChem CID:	103597612
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-77.04
Dipole, Da:	4.12
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)NC(=O)C=CC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations