Geometry & MOs

Info

ID:	294411
PubChem CID:	117459604
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	5.71
IP(EA), eV:	-9.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC=CC=C2C3=CC(=NO3)C(=O)O

DOS

IR

Vibrations