Geometry & MOs

Info

ID:	156301
PubChem CID:	56370020
Reduced:	BrClN3O4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	409.06372
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	2.57
IP(EA), eV:	-9.0(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC(=O)C2=C(N=CC(=C2)Br)Cl)OCC(=O)N

DOS

IR

Vibrations