Geometry & MOs

Info

ID:	350596
PubChem CID:	127278631
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	6.79
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(1,4-dioxan-2-yl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(C1)NC2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations