Geometry & MOs

Info

ID:	151898
PubChem CID:	56310722
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	416.161518
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	3.65
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(5-chloropyridin-2-yl)amino]-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=NC4=CC=CC=C4N3C

DOS

IR

Vibrations