Geometry & MOs

Info

ID:	158977
PubChem CID:	57244339
Reduced:	O2C31H51 (2)
Stoich.:	A2B31C51 (2)
Weight, g/mol:	238.229666
ΔH_f, kcal/mol:	-333.44
Dipole, Da:	0.92
IP(EA), eV:	-8.29(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hept-4-enoxypropylcyclohexane

Drug info:

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(C(CCC4)OC5=CC(=C(C=C5CO)OC6CCCC7[C@]6([C@H]8CC[C@]9([C@H]([C@@H]8CC7)CC[C@@H]9[C@H](C)CCCC(C)C)C)C)CO)C)C

DOS

IR

Vibrations