Geometry & MOs

Info

ID:	200617
PubChem CID:	79415367
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	3.56
IP(EA), eV:	-8.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)CNCCCN2CCCC2

DOS

IR

Vibrations