Geometry & MOs

Info

ID:	17046
PubChem CID:	482830
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	4.23
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-2-pyridin-2-ylindol-1-yl)methoxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C2=CC=CC=C2C(=C1C3=CC=CC=N3)Br

DOS

IR

Vibrations