Geometry & MOs

Info

ID:	155924
PubChem CID:	56368318
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	-61.36
Dipole, Da:	5.69
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2OC)N3C=CC=C3)Cl)O

DOS

IR

Vibrations