Geometry & MOs

Info

ID:	381081
PubChem CID:	134971714
Reduced:	NOC3H3 (1)
Stoich.:	ABC3D3 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	19.93
Dipole, Da:	2.14
IP(EA), eV:	-9.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-6-methyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

[C-]#[N+]/C=C\O

DOS

IR

Vibrations