Geometry & MOs

Info

ID:	142397
PubChem CID:	53029133
Reduced:	ClN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	3.37
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3-oxo-N-(pyridin-2-ylmethyl)-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations