Geometry & MOs

Info

ID:	153015
PubChem CID:	56312130
Reduced:	N4O4C23H36 (1)
Stoich.:	A4B4C23D36 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	6.0
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]-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)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations