Geometry & MOs

Info

ID:	440518
PubChem CID:	135230504
Reduced:	F2O4N7C29H33 (1)
Stoich.:	A2B4C7D29E33 (1)
Weight, g/mol:	304.182715
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	13.08
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methylbutoxy(phenyl)methyl]naphthalene

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CCN(CC2)C(=O)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(N=C5)F)F)CCOC

DOS

IR

Vibrations