Geometry & MOs

Info

ID:	146998
PubChem CID:	53776985
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-183.11
Dipole, Da:	2.97
IP(EA), eV:	-9.44(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-methyl-2-phenoxybenzene

Drug info:

PubChemData

Smile

CC1(CCC1)C(C/C=C/[C@@H]2[C@H](C(=C)CC2OC)C/C=C\CCCC(=O)O)O

DOS

IR

Vibrations