Geometry & MOs

Info

ID:	311238
PubChem CID:	126590003
Reduced:	BrOH11C18 (1)
Stoich.:	ABC11D18 (1)
Weight, g/mol:	454.08921
ΔH_f, kcal/mol:	49.19
Dipole, Da:	2.69
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-2-ethenyl-4,5-diformyl-N-methyl-N-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=CC=C3)Br)OC4=CC=CC=C24

DOS

IR

Vibrations