Geometry & MOs

Info

ID:	152702
PubChem CID:	56311742
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	6.94
IP(EA), eV:	-8.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-fluoroanilino)-3-oxopropyl]-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)CCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations