Geometry & MOs

Info

ID:	351440
PubChem CID:	127280328
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	67.14
Dipole, Da:	6.78
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations