Geometry & MOs

Info

ID:	418828
PubChem CID:	135106933
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	5.23
IP(EA), eV:	-9.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-piperidin-1-ylazetidin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations