Geometry & MOs

Info

ID:	130579
PubChem CID:	51091354
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	327.0041
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	2.95
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations