Geometry & MOs

Info

ID:	200614
PubChem CID:	79415364
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	1.43
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3-ethoxypropylamino)methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)CNCCC2=CC=CS2

DOS

IR

Vibrations