Geometry & MOs

Info

ID:	370766
PubChem CID:	127340546
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	7.71
IP(EA), eV:	-8.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopentyl-1,4-diazepane-1-carbonyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations