Geometry & MOs

Info

ID:	340333
PubChem CID:	127262344
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	5.15
IP(EA), eV:	-9.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-oxopropan-2-yl) cycloheptanecarboxylate

Drug info:

PubChemData

Smile

C1CCCC(CC1)(/C=N/OCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations