Geometry & MOs

Info

ID:	260248
PubChem CID:	103186411
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	281.085207
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	2.87
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-5-quinolin-5-ylbenzoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN2C=CC=C2C(=O)C

DOS

IR

Vibrations