Geometry & MOs

Info

ID:	223370
PubChem CID:	85334926
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	38.79
Dipole, Da:	6.18
IP(EA), eV:	-9.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methoxyphenol

Drug info:

PubChemData

Smile

C#CCON=C(CC1=CN=CC=C1)CN2CCCC2=O

DOS

IR

Vibrations