Geometry & MOs

Info

ID:	404928
PubChem CID:	135071821
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	393.05757
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	2.39
IP(EA), eV:	-9.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-bromo-2-[3-(3-phenylpyrrol-1-yl)propyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)O/N=C(\CC=C)/C1=CC=CC=C1

DOS

IR

Vibrations