Geometry & MOs

Info

ID:	370795
PubChem CID:	127340581
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	363.288577
ΔH_f, kcal/mol:	27.47
Dipole, Da:	8.18
IP(EA), eV:	-9.11(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations