Geometry & MOs

Info

ID:	150403
PubChem CID:	53790092
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	360.172545
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	2.62
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-4-(3-phenoxyphenyl)butan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=C(NC(=C1OCCN2CCC(CC2)(C3=CC=CC=C3)O)C(=O)OC)C

DOS

IR

Vibrations