Geometry & MOs

Info

ID:	152538
PubChem CID:	56311492
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	4.1
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-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)NC3=C(N=CC=C3)Cl

DOS

IR

Vibrations