Geometry & MOs

Info

ID:	323762
PubChem CID:	126676084
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	125.095297
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	2.18
IP(EA), eV:	-9.51(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethyl)-1H-pyrrol-3-amine

Drug info:

PubChemData

Smile

CC1CC1OCC[C@H]2C[C@@H]2NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations