Geometry & MOs

Info

ID:	152431
PubChem CID:	56311358
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	17.73
Dipole, Da:	1.78
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CO5

DOS

IR

Vibrations