Geometry & MOs

Info

ID:	200609
PubChem CID:	79415359
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	4.9
IP(EA), eV:	-9.14(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(butan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COCCNCC1=CC=C(N1)C(=O)OC

DOS

IR

Vibrations