Geometry & MOs

Info

ID:	200666
PubChem CID:	79424986
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	4.35
IP(EA), eV:	-9.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylidenebutyl)bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CCC2=CN=CC=C2)C(=O)O

DOS

IR

Vibrations