Geometry & MOs

Info

ID:	152626
PubChem CID:	56311621
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-103.74
Dipole, Da:	2.27
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluoroanilino)-2-oxoethyl]-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)CC(=O)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations