Geometry & MOs

Info

ID:	364951
PubChem CID:	127316601
Reduced:	ClSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	3.5
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazine-1-carbonyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations