Geometry & MOs

Info

ID:	256907
PubChem CID:	103142310
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	39.0
Dipole, Da:	10.23
IP(EA), eV:	-8.86(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CNCC1CCCN1C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations