Geometry & MOs

Info

ID:	391641
PubChem CID:	135007657
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	307.02079
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	3.35
IP(EA), eV:	-8.49(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=CC(=CN1)C2=CC=CC=C2

DOS

IR

Vibrations