Geometry & MOs

Info

ID:	371185
PubChem CID:	127344017
Reduced:	ON5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	3.76
IP(EA), eV:	-8.51(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)N2CCC(CC2)C3=CC=NN3C)N(C)C

DOS

IR

Vibrations