Geometry & MOs

Info

ID:	382218
PubChem CID:	134973219
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	262.229666
ΔH_f, kcal/mol:	-107.46
Dipole, Da:	5.96
IP(EA), eV:	-8.47(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dibutyltricyclo[4.2.1.12,5]dec-3-en-9-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2=CC=CC=C2NC

DOS

IR

Vibrations