Geometry & MOs

Info

ID:	289366
PubChem CID:	104347390
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	1.77
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-amino-1-ethylpyrrole-2-carbonyl)pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)SC2CCCC2)NN

DOS

IR

Vibrations