Geometry & MOs

Info

ID:	153016
PubChem CID:	56312131
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	449.192626
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	3.47
IP(EA), eV:	-8.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[2-(trifluoromethyl)anilino]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(CC=C)C3=CC=CC=C3

DOS

IR

Vibrations