Geometry & MOs

Info

ID:	186824
PubChem CID:	77490957
Reduced:	N5O5C16H23 (1)
Stoich.:	A5B5C16D23 (1)
Weight, g/mol:	446.293328
ΔH_f, kcal/mol:	-153.72
Dipole, Da:	6.0
IP(EA), eV:	-9.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl-ethylamino]cyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CCCC(=O)C1=NC2C(=NC(=NC2=O)N)N1COCCOC(=O)CCC

DOS

IR

Vibrations