Geometry & MOs

Info

ID:	44403
PubChem CID:	10503390
Reduced:	BrN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	442.12559
ΔH_f, kcal/mol:	56.42
Dipole, Da:	43.36
IP(EA), eV:	-6.1(-3.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[3-(2-bromophenyl)propyl]-5-ethoxyindol-3-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-])O.[Br-]

DOS

IR

Vibrations