Geometry & MOs

Info

ID:	245812
PubChem CID:	103024054
Reduced:	OF2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	3.11
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminoquinolin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations