Geometry & MOs

Info

ID:	311165
PubChem CID:	126589676
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	8.51
IP(EA), eV:	-9.07(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,5,6,7,8,9,10-octahydrobenzo[b]azulen-10-ylmethanol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=NC2=C(CN3C2=CC4=C(C3=O)COC(=O)[C@H]4C)C=C1)F)C

DOS

IR

Vibrations