Geometry & MOs

Info

ID:	156293
PubChem CID:	56369995
Reduced:	BrO3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	374.02416
ΔH_f, kcal/mol:	-115.6
Dipole, Da:	3.73
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC1(C(=O)N(C(=O)N1)NC(=O)C2=CC(=CN2CC)Br)C

DOS

IR

Vibrations