Geometry & MOs

Info

ID:	396897
PubChem CID:	135029403
Reduced:	BrNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	361.204179
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	2.59
IP(EA), eV:	-9.46(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dimethoxyphenyl)hept-2-ynyl]-1-methylindole

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=CC2=N1)OC)Br)C(=O)O

DOS

IR

Vibrations