Geometry & MOs

Info

ID:	363530
PubChem CID:	127311609
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	2.92
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC(C)CC4CCCO4

DOS

IR

Vibrations