Geometry & MOs

Info

ID:	319694
PubChem CID:	126657029
Reduced:	OPH20C23 (2)
Stoich.:	ABC20D23 (2)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	42.88
Dipole, Da:	9.04
IP(EA), eV:	-9.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyclononylamino)benzoate

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2C(C3=C1C(=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)/C(=C\C=C/C(=C)C)/P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations