Geometry & MOs

Info

ID:	309436
PubChem CID:	126546256
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	3.75
IP(EA), eV:	-8.34(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-tert-butylanilino)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)NC2CCN(C2)S(=O)(=O)C

DOS

IR

Vibrations