Geometry & MOs

Info

ID:	190466
PubChem CID:	78008929
Reduced:	NSO2C29H39 (1)
Stoich.:	ABC2D29E39 (1)
Weight, g/mol:	405.95032
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	1.74
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(5-bromo-1H-indol-3-yl)prop-1-enyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CCN2CCC3C(C2)CC3(C)OC(=O)C4(CCCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations