Geometry & MOs

Info

ID:	370787
PubChem CID:	127340569
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	342.197714
ΔH_f, kcal/mol:	6.18
Dipole, Da:	6.57
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(1-methylsulfonylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=CC=C2C(C)C)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations