Geometry & MOs

Info

ID:	400040
PubChem CID:	135044749
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-64.4
Dipole, Da:	7.67
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4a-trimethyl-5,6-dimethylidene-2,3,4,7,8,8a-hexahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)NC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C#N

DOS

IR

Vibrations