Geometry & MOs

Info

ID:	363515
PubChem CID:	127311594
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	4.37
IP(EA), eV:	-8.61(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC(C)CC4=CC=CS4

DOS

IR

Vibrations