Geometry & MOs

Info

ID:	153226
PubChem CID:	56312387
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	5.75
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(methylcarbamoyl)anilino]-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(=CC=C3)C#N

DOS

IR

Vibrations