Geometry & MOs

Info

ID:	152009
PubChem CID:	56310853
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	4.8
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethoxyanilino)-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(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations