Geometry & MOs

Info

ID:	156063
PubChem CID:	56368978
Reduced:	BrON2F3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	406.08921
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	4.21
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(3-bromophenyl)-2,5-dimethylpyrrole-3-carbonyl]-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N(CC2=CC=CC=C2C(F)(F)F)C3CC3)Br

DOS

IR

Vibrations