Geometry & MOs

Info

ID:	293848
PubChem CID:	117405420
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	33.97
Dipole, Da:	3.13
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cycloheptylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CSCCC1C2=CC=C(C=C2)C3=CC(=NO3)N

DOS

IR

Vibrations