Geometry & MOs

Info

ID:	419466
PubChem CID:	135108247
Reduced:	O2F3N3C17H20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-200.71
Dipole, Da:	1.46
IP(EA), eV:	-9.01(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylfuran-3-carbonyl)-1,4-diazepan-1-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations