Geometry & MOs

Info

ID:	151908
PubChem CID:	56310733
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	3.79
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzylcarbamoylamino)-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(=O)N4C=C(C=CC4=N3)C

DOS

IR

Vibrations