Geometry & MOs

Info

ID:	148495
PubChem CID:	53788158
Reduced:	O3C23H40 (1)
Stoich.:	A3B23C40 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-189.41
Dipole, Da:	3.93
IP(EA), eV:	-9.85(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-(4-methylidenecyclohexa-1,5-dien-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CC([C@@H]([C@H]1CCCC(C2(CCC2)C)O)C/C=C\CCCC(=O)O)C

DOS

IR

Vibrations