Geometry & MOs

Info

ID:	308465
PubChem CID:	125333177
Reduced:	OSN6H16C20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	149.74
Dipole, Da:	6.87
IP(EA), eV:	-8.82(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-(ethylaminomethyl)phenyl]-3H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)CC(=O)NCC3=NN=C4N3N=C(C=C4)C5=CC=CS5

DOS

IR

Vibrations