Geometry & MOs

Info

ID:	385908
PubChem CID:	134980299
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	137.131477
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	0.74
IP(EA), eV:	-8.73(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-deuterio-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C2CC(C(OC2=C1)(C)C)/C=C/C(=C)C)O

DOS

IR

Vibrations