Geometry & MOs

Info

ID:	388120
PubChem CID:	134988227
Reduced:	ON4H15C19 (2)
Stoich.:	AB4C15D19 (2)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	380.52
Dipole, Da:	6.98
IP(EA), eV:	-7.87(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylcycloundecane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=NC8=NC(=NC2=N3)C9=CC=CC=C98)N6)OC(C)C

DOS

IR

Vibrations