Geometry & MOs

Info

ID:	46552
PubChem CID:	10525152
Reduced:	O6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	402.183109
ΔH_f, kcal/mol:	-206.29
Dipole, Da:	5.02
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-3-[1-(3-phenylpropyl)cyclopropyl]oxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC(=C(C=C1)OC)OC)OC(=O)C)[C@]2(C[C@H](C=CC2=O)OC)CC=C

DOS

IR

Vibrations