Geometry & MOs

Info

ID:	363518
PubChem CID:	127311597
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	4.54
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4CCC4

DOS

IR

Vibrations