Geometry & MOs

Info

ID:	25180
PubChem CID:	620828
Reduced:	NOSC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	402.349781
ΔH_f, kcal/mol:	30.08
Dipole, Da:	4.41
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)butan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=NC2=CC(=CC=C2)SC

DOS

IR

Vibrations