Geometry & MOs

Info

ID:	153022
PubChem CID:	56312137
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	7.5
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methyl-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)CC3=CC(=O)OC4=C3C=CC(=C4)C

DOS

IR

Vibrations