Geometry & MOs

Info

ID:	153228
PubChem CID:	56312389
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-171.15
Dipole, Da:	2.93
IP(EA), eV:	-8.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methyl-5-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=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations