Geometry & MOs

Info

ID:	195615
PubChem CID:	78712839
Reduced:	FN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	5.75
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzoxazol-2-ylmethyl 4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)N(CC1=CC=CC=C1F)C2CC2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations