Geometry & MOs

Info

ID:	370196
PubChem CID:	127337684
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	368.278741
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	5.05
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylbutan-2-yl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCCC3=NC(=CS3)C(C)(C)C

DOS

IR

Vibrations