Geometry & MOs

Info

ID:	380045
PubChem CID:	134964532
Reduced:	NC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	258.234751
ΔH_f, kcal/mol:	56.08
Dipole, Da:	2.19
IP(EA), eV:	-9.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]propylbenzene

Drug info:

PubChemData

Smile

C=CC[C@@H](C=C)C1=CN=CC=C1

DOS

IR

Vibrations