Geometry & MOs

Info

ID:	270772
PubChem CID:	103638055
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-52.49
Dipole, Da:	2.43
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC=C(C=C1)F)C2CC2

DOS

IR

Vibrations