Geometry & MOs

Info

ID:	160264
PubChem CID:	57309610
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	572.329045
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	7.73
IP(EA), eV:	-9.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-phenyl-5-[4-(6-phenylhexoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulen-2-yl]oxy]oxane

Drug info:

PubChemData

Smile

CCC(=O)C(CCC(=O)O)NC1=C(C=CC=C1C)C

DOS

IR

Vibrations