Geometry & MOs

Info

ID:	179456
PubChem CID:	76485253
Reduced:	N4O6H18C23 (1)
Stoich.:	A4B6C18D23 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	9.8
IP(EA), eV:	-9.5(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-10-methylidene-3-(piperidin-1-ylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC=CC(=O)N2COC3=CC=C(C=C3)C4=NC(=O)C(C=N4)C(=O)O

DOS

IR

Vibrations