Geometry & MOs

Info

ID:	162379
PubChem CID:	57394489
Reduced:	F2O3N4H14C23 (1)
Stoich.:	A2B3C4D14E23 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	8.89
IP(EA), eV:	-9.01(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[4-(oxan-4-ylmethoxy)pyridin-2-yl]oxymethyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CN(C3=C(C2=O)NC(=O)C=C3)CC4=C(C=CC=C4F)F)C#N

DOS

IR

Vibrations