Geometry & MOs

Info

ID:	368712
PubChem CID:	127329921
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	1.55
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-propan-2-ylmorpholin-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NCCNC(=O)C2=CC=CS2

DOS

IR

Vibrations