Geometry & MOs

Info

ID:	389126
PubChem CID:	134991248
Reduced:	C7H13 (2)
Stoich.:	A7B13 (2)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	0.14
IP(EA), eV:	-9.18(1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8S,8aR)-4a,7,8-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

C/C=C/C(C1CCCCC1)C(C)(C)C

DOS

IR

Vibrations