Geometry & MOs

Info

ID:	364392
PubChem CID:	127315569
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	5.01
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methylsulfonylcyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N(CCN(C)C)C3CCCC3)NN=C2

DOS

IR

Vibrations