Geometry & MOs

Info

ID:	79735
PubChem CID:	49830186
Reduced:	NO2C28H34 (1)
Stoich.:	AB2C28D34 (1)
Weight, g/mol:	408.14337
ΔH_f, kcal/mol:	-2.14
Dipole, Da:	1.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752120
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[NH+](C)C)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations