Geometry & MOs

Info

ID:	153227
PubChem CID:	56312388
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-133.84
Dipole, Da:	8.65
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-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)CC(=O)NC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations