Geometry & MOs

Info

ID:	152323
PubChem CID:	56311234
Reduced:	N2O2C11H16 (2)
Stoich.:	A2B2C11D16 (2)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-163.84
Dipole, Da:	2.45
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methyl-3-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)NCC(=O)N3CCCC3

DOS

IR

Vibrations