Geometry & MOs

Info

ID:	357926
PubChem CID:	127295426
Reduced:	ClFO2N3C20H27 (1)
Stoich.:	ABC2D3E20F27 (1)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	4.86
IP(EA), eV:	-9.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations