Geometry & MOs

Info

ID:	152707
PubChem CID:	56311748
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	6.78
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-nitroanilino)-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)NC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations