Geometry & MOs

Info

ID:	200616
PubChem CID:	79415366
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-53.08
Dipole, Da:	1.85
IP(EA), eV:	-9.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(N1)CNCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations