Geometry & MOs

Info

ID:	423337
PubChem CID:	135119328
Reduced:	SN2O3C14H28 (1)
Stoich.:	AB2C3D14E28 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-159.71
Dipole, Da:	5.61
IP(EA), eV:	-8.46(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methoxypyrrolidin-1-yl)-3-oxopropyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCCN1CCC[C@@]2(C1)CCC[C@H]2O

DOS

IR

Vibrations