Geometry & MOs

Info

ID:	315077
PubChem CID:	126624346
Reduced:	SO2N5H75C86 (1)
Stoich.:	AB2C5D75E86 (1)
Weight, g/mol:	334.323566
ΔH_f, kcal/mol:	198.63
Dipole, Da:	3.29
IP(EA), eV:	-8.19(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6,7-tritert-butyl-2-bicyclo[3.2.1]oct-4-enyl)propan-2-ol

Drug info:

Smile

CCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)/C=C/C(=O)C)C5=CC=C(C=C5)C6=CC7=C(C=C6)C8=CC9=C(C=C8N7C1=CN=CN=C1)SC1=C9C=CC(=C1)N(C1=CC=C(C=C1)/C=C/C(=O)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(CCC)CCC)CCC

DOS

IR

Vibrations