Geometry & MOs

Info

ID:	396489
PubChem CID:	135028576
Reduced:	NO6H15C20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	371.115758
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	10.65
IP(EA), eV:	-9.56(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-methoxycarbonyl-2-[2-(2-quinolin-3-ylethynyl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)[C@]1(C[C@H]1C2=CC=CC=C2C#CC3=CC=CC=C3[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations