Geometry & MOs

Info

ID:	350595
PubChem CID:	127278630
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	42.32
Dipole, Da:	4.39
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-anilinopyrrolidin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCC(C3)NC4=CC=CC=C4)C

DOS

IR

Vibrations