Geometry & MOs

Info

ID:	151902
PubChem CID:	56310726
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	427.22712
ΔH_f, kcal/mol:	-107.06
Dipole, Da:	4.07
IP(EA), eV:	-8.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-fluorophenyl)methyl-methylamino]-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)N(CC)C3=CC=CC=C3C

DOS

IR

Vibrations