Geometry & MOs

Info

ID:	382359
PubChem CID:	134973453
Reduced:	O13C55H60 (1)
Stoich.:	A13B55C60 (1)
Weight, g/mol:	120.0939
ΔH_f, kcal/mol:	-423.51
Dipole, Da:	3.42
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-1-methylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC1(O[C@H]2C(O[C@H](C(C2O1)OC(=O)C3=CC=CC=C3)OCCCC=C)CO[C@H]4C(C([C@H](C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C8=CC=CC=C8)C

DOS

IR

Vibrations