Geometry & MOs

Info

ID:	351397
PubChem CID:	127280285
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	12.36
Dipole, Da:	4.25
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N(C)CCN3CCCC3)C

DOS

IR

Vibrations