Geometry & MOs

Info

ID:	357252
PubChem CID:	127293785
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	6.0
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)C3=C(C4=C(CC(O4)(C)C)C=C3)O

DOS

IR

Vibrations