Geometry & MOs

Info

ID:	184625
PubChem CID:	77185140
Reduced:	NaN3O5H25C27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	517.19803
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	6.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.218951
Charge, e:	0

Chem-info

IUPAC name:

2-[4-benzyl-7-bromo-4-methyl-3-(1-phenylethylimino)-1,2-dihydronaphthalen-2-yl]pentan-2-ol

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC=C2N1C3=CC=CC4=C3OCC4NC5=CC6=C(C=C5)C(CO6)OC(=O)C.[Na]

DOS

IR

Vibrations