Geometry & MOs

Info

ID:	24882
PubChem CID:	614219
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	4.55
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations