Geometry & MOs

Info

ID:	152540
PubChem CID:	56311494
Reduced:	FN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	2.3
IP(EA), eV:	-8.67(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-chloro-4-methylanilino)-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(=C(C=C3)OC)F

DOS

IR

Vibrations