Geometry & MOs

Info

ID:	151900
PubChem CID:	56310724
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-68.96
Dipole, Da:	3.54
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)CN2CC(OC3=CC=CC=C32)C(=O)NC(CC)CC

DOS

IR

Vibrations