Geometry & MOs

Info

ID:	364949
PubChem CID:	127316599
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	15.43
Dipole, Da:	4.29
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)piperidin-4-yl]-(4-cyclobutylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations