Geometry & MOs

Info

ID:	152801
PubChem CID:	56311872
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	4.64
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-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)CCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations