Geometry & MOs

Info

ID:	15885
PubChem CID:	454436
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	3.41
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(1,3-benzoxazol-2-ylmethylamino)-2-methyl-6-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC=C3O2)C

DOS

IR

Vibrations