Geometry & MOs

Info

ID:	303113
PubChem CID:	124489224
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	335.14339
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	4.75
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)O)NC(=O)C(C)(C)C

DOS

IR

Vibrations