Geometry & MOs

Info

ID:	169437
PubChem CID:	75104381
Reduced:	P3N5O16C38H58 (1)
Stoich.:	A3B5C16D38E58 (1)
Weight, g/mol:	412.9449
ΔH_f, kcal/mol:	-889.69
Dipole, Da:	4.06
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[2-(3,5-dimethoxyphenyl)ethenyl]aniline

Drug info:

PubChemData

Smile

CC(CCC(=O)NCC#CC1=CN(C2=NC=NC(=C12)N)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)O)C)O)O)C

DOS

IR

Vibrations