Geometry & MOs

Info

ID:	156818
PubChem CID:	56394479
Reduced:	SO2N5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	442.12559
ΔH_f, kcal/mol:	32.89
Dipole, Da:	5.7
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=NN(C2=N1)CC3=CC=CS3)C(=O)NC4CCN(CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations