Geometry & MOs

Info

ID:	49562
PubChem CID:	11533261
Reduced:	ClO2N3C29H32 (1)
Stoich.:	AB2C3D29E32 (1)
Weight, g/mol:	490.238019
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.68
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethoxypiperidin-1-yl)-3-fluorophenyl]-4-(5-methylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations