Geometry & MOs

Info

ID:	179889
PubChem CID:	76550142
Reduced:	NO4C31H39 (1)
Stoich.:	AB4C31D39 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	5.38
IP(EA), eV:	-6.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)(C2CC34CCC2(C5C36CCN(C4CC7=C6C(=C(C=C7)OC)O5)C)OC)O

DOS

IR

Vibrations