Geometry & MOs

Info

ID:	130070
PubChem CID:	51074836
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	34.9
Dipole, Da:	1.22
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC3=NC(=NC(=N3)N(C)C)N

DOS

IR

Vibrations