Geometry & MOs

Info

ID:	364647
PubChem CID:	127315942
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	380.242356
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	3.61
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoylamino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations