Geometry & MOs

Info

ID:	363514
PubChem CID:	127311593
Reduced:	FON2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations