Geometry & MOs

Info

ID:	152803
PubChem CID:	56311874
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	7.79
IP(EA), eV:	-8.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-acetylanilino)-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)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations