Geometry & MOs

Info

ID:	285560
PubChem CID:	104113308
Reduced:	NO2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-135.85
Dipole, Da:	7.19
IP(EA), eV:	-9.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cycloheptyl(methyl)amino]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCNC1=NC(=CO1)C(=O)O

DOS

IR

Vibrations