Geometry & MOs

Info

ID:	284774
PubChem CID:	104070021
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	5.4
IP(EA), eV:	-8.24(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NC2=CC=CC(=C2)CCCO

DOS

IR

Vibrations