Geometry & MOs

Info

ID:	153221
PubChem CID:	56312382
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	407.200905
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	5.47
IP(EA), eV:	-8.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-fluoroquinolin-8-yl)methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCOC3=CC=CC=C3C#N

DOS

IR

Vibrations