Geometry & MOs

Info

ID:	363617
PubChem CID:	127311696
Reduced:	SO2N3C13H25 (1)
Stoich.:	AB2C3D13E25 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-106.8
Dipole, Da:	2.62
IP(EA), eV:	-8.65(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)NCCN2CCSCC2

DOS

IR

Vibrations