Geometry & MOs

Info

ID:	370797
PubChem CID:	127340593
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	4.1
Dipole, Da:	3.99
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopentyl-1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations