Geometry & MOs

Info

ID:	363529
PubChem CID:	127311608
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	3.42
IP(EA), eV:	-8.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4=C(C=CS4)C

DOS

IR

Vibrations